Fluorine-containing molecules play central roles in applications as diverse as lithium-ion batteries, refrigerants, agrochemicals and pharmaceuticals. We have invented several processes avoiding the production of dangerous HF for the direct synthesis of fluorochemicals from naturally occurring Fluorspar (CaF₂) or waste poly- and perfluoroalkyl species (PFAS). This project will invent new oxidative fluorination processes for the synthesis of fluorochemicals currently derived from dangerous hydrogen fluoride gas.

Key publications:
Silicate-Enabled Mechanochemical Mineralization of Polymeric and Nonpolymeric PFAS into Sodium Fluoride (J. Am. Chem. Soc. 2026, 148, 17977)
Phosphate-enabled mechanochemical PFAS destruction for fluoride reuse (Nature 2025, 640, 100)

Useful links:
Aldridge group: https://aldridge.web.ox.ac.uk/home
Gouverneur group: https://gouverneurgroup.site.ox.ac.uk/home

For further details please contact Simon Aldridge (simon.aldridge@chem.ox.ac.uk) and/or Veronique Gouverneur (veronique.gouverneur@chem.ox.ac.uk)

This project will explore the synthesis of metalloporphyrins for fabrication of solar cells via thermal vacuum sublimation. We will start by investigating electron-deficient metalloporphyrins and use these compounds to fabricate multilayer bulk heterojunction devices, by combining them with electron-rich organic semiconductors in donor/acceptor architectures. We will seek to optimise factors such as: (a) the HOMO and LUMO level alignment between donor and acceptor, (b) the lifetimes of singlet and triplet exited states, and the rate of intersystem crossing, (c) the exciton diffusion length and charge carrier mobility, (d) the molecular packing arrangement and crystallinity of the thin films, (e) performance in solar cells The goal of this project is to identify novel compounds, understand their properties and optimise corresponding solar cells to improve their power conversion efficiency and lifetime.

Useful links:
Anderson group: http://hla.chem.ox.ac.uk
Riede group: https://www.physics.ox.ac.uk/research/afmd-group

For further details please contact Harry Anderson (harry.anderson@chem.ox.ac.uk) and/or Moritz Riede (moritz.riede@physics.ox.ac.uk)

Altermagnets are a rapidly emerging special class of magnetic material with potential applications in spintronics. They are antiferromagnets, so, unlike ferromagnets, they are not influenced by stray magnetic fields and this can enable, for example, magnetic data storage at high densities with high fidelity. Particular symmetry properties of the crystal and magnetic structures of altermagnets are required to enable them to perform the functions required of high-density spintronic devices. This project will identify new candidate altermagnets amongst transition metal oxides, sulfides and phosphides and related mixed- anion materials, and control their compositions (e.g. to introduce transition metal mixed-valence, and the strengths of magnetic interactions) to optimise their magnetic ordering and electronic conductivity. This project will build on promising preliminary results from the project supervisory team. The student will become expert in solid-state synthesis using high-and low-temperature techniques, crystallography and cutting-edge X-ray, neutron and muon spectroscopies at International Facilities.

Key publications:
Structures and Magnetic Ordering in Layered Cr Oxide Arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs (Inorg. Chem. 2022, 61, 12373)
X-ray magnetic circular dichroism evidence of intrinsic d-wave altermagnetism in rutile-structure NiF₂ (arXiv:2603.03694 [cond-mat.str-el])

Useful links:
Clarke group: https://clarkegroup.web.ox.ac.uk

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk) and/or Andrew Boothroyd (andrew.boothroyd@physics.ox.ac.uk)

This project offers an opportunity to gain a wide skillset across synthetic and physical chemistry and photophysics. It involves the design and synthesis of organometallic and coordination complexes and their characterisation via optical and vibrational spectroscopy. Molecular materials with near-infrared (NIR) bandgaps have implications spanning traditional scientific disciplines, not limited to solar energy, sensing and imaging. However, as a consequence of “the energy gap law”, current NIR molecular materials convert a substantial portion of the energy stored in their excited states to heat, rather than useful light or electricity. The coupling of excited states to vibrations, which mediates this thermal loss process, is the key phenomenon which we must control. The outcomes of this project – the development of structural strategies to tune the vibrations in molecules completely independently of their electronic properties – will enable us to build new fundamental understanding to design and synthesise materials that beat the energy gap law.

Key publications:
A Simple Molecular Design Strategy for Delayed Fluorescence toward 1000 nm (J. Am. Chem. Soc. 2019, 141, 18390)
Understanding Effects of Alkyl Side-Chain Density on Polaron Formation Via Electrochemical Doping in Thiophene Polymers (Adv. Mat. 2023, 36, 2211184)

Useful links:
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Daniel Congrave (dan.congrave@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Sufficiently conductive two-dimensional films have a capacitative fingerprint that is highly responsive to the dielectric changes associated with any molecular recognition event that occurs at their surface. Two-dimensional transition metal-organic frameworks (2D MOFs), including those that are redox responsive, have potential powerful applications in energy storage and diagnostics if they can be suitably receptor modified. This project will investigate the generation of electrochemically addressable transition metal MOF films, their capacitative charging, and the peripheral modification of these with biological receptors such that clinically-relevant biological targets can be detected.

Key publications:
Chemiresistive Polymer Percolation Network Gas Sensor Created with a Nanosphere Template (Adv. Mater. Interfaces 2023, 2202042)
Conductive metal-organic framework synthesis from metal nanoparticle precursors (Journal of Physics: Materials 2025, 8, 025004)

Useful links:
Davis group: http://jjdgroup.co.uk
Castell group: https://users.ox.ac.uk/~mrc/

For further details please contact Jason Davis (Jason.davis@chem.ox.ac.uk) and/or Martin Castell (martin.castell@materials.ox.ac.uk)

Silicate ceramics are technologically important materials, with practical applications ranging from dielectrics, refractories, and environmental barrier coatings to piezoelectrics. Yet, ceramic materials typically contain grain boundaries, and understanding the nature of those remains difficult. This project will develop a computational framework that moves beyond a few idealised interfaces and instead studies thousands of grain boundaries, including distinct complexion states. Machine-learning-based interatomic potential (MLIP) models will provide atomic-resolution descriptions of complex grain boundaries, and these simulations will be closely linked to experimental data on complexion transitions. The project will therefore build new computational capabilities to link atomistic grain-boundary structure, complexion populations, and mesoscale microstructure evolution in ceramics. It is suited to a student interested in machine learning, atomistic simulation, and microstructure modelling.

Key publications:
Reversible grain boundary complexion transition explains cratonic lithosphere anomalies (arXiv:2504.19784v2 [physics.geo-ph])
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS₃ (J. Mater. Chem. A 2025, 13, 35447)

Useful links:
Deringer group: https://deringer.chem.ox.ac.uk
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html

For further details please contact Volker Deringer (volker.deringer@chem.ox.ac.uk) and/or Tinka Marquardt (katharina.marquardt@materials.ox.ac.uk)

This project explores all-optical memory devices based on WO₃, a photoactive oxide in which resistance states can be written and erased using light. Such contactless all-optical operation offers a route to fast, energy-efficient memory functions for advanced photonic and neuromorphic computing technologies. However, current WO₃ devices are limited by weak photocurrents, instability, and poor reproducibility, often governed by defects and interface barriers. This project targets these challenges by integrating plasmonic nanostructures to confine and enhance light at the nanoscale, boosting photocurrent and enabling faster, more reliable switching. The work combines thin film fabrication, nanofabrication, and electrical and optical characterisation to understand and control light–matter interactions in functional oxides. By linking nanoscale structure to device performance, the project aims to establish plasmonic-enhanced WO₃ as a scalable platform for optical memory technologies.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Bonilla group: https://interface.materials.ox.ac.uk/people/dr-ruy-sebastian-bonilla

For further details please contact Giuliana Di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Ternary chalcogenides are emerging as a highly promising class of materials for energy applications, including photovoltaics and thermoelectrics, where they exhibit high performance, high stability and cost-effective processing. However, the fundamental structure-performance relationships are not well understood, yet are critical for achieving further breakthroughs in device performance. Recently, we made the surprising discovery of second harmonic generation in AgBiS₂, suggesting local symmetry breaking to be present, despite its widely-assumed centrosymmetric rocksalt structure. This project combines advanced synthesis of the wider ternary chalcogenide family of materials with state-of-the-art nonlinear optical microscopy, ultrafast spectroscopy and advanced diffraction methods to understand the links between composition and local structural symmetry on charge-carrier transport. The project brings together the complementary expertise of the Hoye group in developing emerging photovoltaic semiconductors and the Di Martino group in advanced nonlinear optical characterisation of polar materials, together with collaboration with the Clarke group on advanced structural analysis. The resulting understanding will not only guide the development of more efficient photovoltaic and thermoelectric materials, but also open up the application of these ternary chalcogenides in nonlinear photonics, neuromorphic computing and non-volatile memory.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)
Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers (arXiv:2602.22024v1 [cond-mat.mtrl-sci])

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Hoye group: https://hoyegroup.site.ox.ac.uk/home

For further details please contact Giuliana di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

Reaching net-zero requires carbon capture and the decarbonisation of the chemicals industry. Both challenges can be addressed with devices that capture CO₂ from the atmosphere and photocatalytically convert it to green feedstock that can be used to produce fuels. This project focusses on on development and spectroscopic analysis of stable inorganic light harvesters that can be used for atmospheric CO₂ capture and reduction, as well as the complementary water oxidation reactions.

Key publications:
Long-term solar water and CO₂ splitting with photoelectrochemical BiOI–BiVO₄ tandems (Nat. Mat. 2022, 21, 864)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact James Durrant (james.durrant@chem.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

his project will explore the development of lanthanide complexes as building blocks that can be incorporated onto solid and polymer supports and used to sense volatile chiral molecules and biomarkers. It will involve a mix of synthetic chemistry, spectroscopy and data analysis. The key goal of the project is to demonstrate and refine the concept of sensing chiral molecules with fluxional, but kinetically stable, lanthanide complexes through circular polarised luminescence spectroscopy and cavity ringdown polarimetry.

Key publications:
Speciation and Luminescence of a Binuclear Lanthanide Complex Bearing an Aminophenolate Chromophore (Chem. Eur. J. 2025, 31, e02305)
Continuous-wave cavity ringdown for high-sensitivity polarimetry and magnetometry measurements (J. Chem. Phys. 2024, 160, 054201)

Useful links:
Faulkner group: http://faulkner.chem.ox.ac.uk
Vincent group: https://ritchie.chem.ox.ac.uk/home

For further details please contact Steve Faulkner (Stephen.faulkner@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

Emerging evidence suggests that chiral materials can selectively filter electrons according to their spin, offering a promising route towards low-power, room-temperature spintronic devices with potential applications in quantum technologies. However, the fundamental mechanisms underlying this spin-selective behaviour remain poorly understood, with the interface between the metal and chiral material thought to play a critical role. This project will combine chiral materials chemistry with advanced characterisation techniques to uncover the origins of spin selectivity, establish how interfacial structure and composition govern the effect, and develop strategies to maximise it. These insights will provide a foundation for the design and manufacture of next-generation spintronic technologies.

Key publications:
Chiral Induced Spin Selectivity (Chem. Rev. 2024, 124, 1950)
Short video on chiral materials for spin control: link

Useful links:
Fuchter group: https://fuchtergroup.site.ox.ac.uk
Regoutz group: https://regoutzgroup.org

For further details please contact Matthew Fuchter (matthew.fuchter@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

This project explores the development of amorphous SiO₂-TiO₂ thin films for advanced coatings with applications in energy, optics, and environmental technologies. These hybrid films combine optical transparency, photocatalytic activity, and mechanical durability, yet the structure-property relationships that govern their performance remain poorly understood: unlike crystalline materials, disordered oxides lack the periodic structure that makes them tractable to conventional simulation and design. The project addresses this challenge by combining sol-gel synthesis and thermal processing, which offer precise control over porosity and film architecture, with machine-learning-driven simulations based on state-of-the-art interatomic potential models. Advanced characterisation, including electron microscopy, Raman spectroscopy, and surface analysis, will link atomic-scale disorder, particularly Ti–O–Si bonding environments, to measurable properties such as refractive index, wettability, and photocatalytic efficiency. Bridging experimental and computational approaches across two research groups, the project aims at the rational design of sustainable, high-performance inorganic materials.

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Deringer group: https://www.chem.ox.ac.uk/people/volker-deringer

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Volker Deringer (volker.deringer@chem.ox.ac.uk)

New opportunities in hydrogenation catalysis are opening up where the carbon support itself serves as the site of reduction for organic molecules, using electrons fed from a separate H₂ activation site. That activation site could be an enzyme, a metal complex, or a nanoparticle. Doping carbon nanotubes with nitrogen creates more reactive sites, but nanotubes remain difficult to handle in practical catalysis.
This project explores carbon fibre materials made from biomass-derived precursors as practical and reactive catalyst supports for selective hydrogenations. Unlike nanotubes, these fibres are macroscopic, easily handled, and readily separated from reaction mixtures, while offering tunable surface chemistry, controllable nitrogen doping, and high electrical conductivity. Their sustainable, low-cost origin adds further appeal.
The project will evaluate these carbon materials, in conjunction with immobilised bio- or chemo-catalysts for H₂ activation, as sustainable supports for mild, selective hydrogenation chemistry.

Key publications:
Unveiling the Mechanism of the in Situ Formation of 3D Fiber Macroassemblies with Controlled Properties (ACS Nano 2023, 17, 6800)
Selective hydrogenation of nitro compounds to amines by coupled redox reactions over a heterogeneous biocatalyst (Nat Commun 2024, 15, 7297)

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Vincent group: https://vincent.web.ox.ac.uk/

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

Transition-metal oxides are ubiquitous in technology. However, as the majority of materials are prepared at high temperature, 4d and 5d transition-metals tend to be incorporated into oxides in high oxidation states (≥ M⁴⁺). Utilizing topochemical synthesis methods (cation exchange, topochemical reduction) this project aims to prepare novel oxides containing late 4d and 5d transition-metal cations (Ru, Rh, Re, Os, Ir) in low oxidation states (M¹⁺, M²⁺, M³⁺) and then study their local electronic states via X-ray photoelectron spectroscopy. The goal is to understand how the unusual combination of factors particular to low-valent 4d and 5d transition metal cations (high electron count, strong ligand-field interaction, strong spin-orbit coupling) give rise to the local electronic configurations of the metals, and how this leads to their physical and chemical properties. The student will receive training and develop skills in both complex synthesis in the Hayward labs and advanced electronic spectroscopy in the Regoutz group.

Key publications:
Controlling the Regioselectivity of Topochemical Reduction Reactions Through Sequential Anion Insertion and Extraction (Angew. Chem. Int. Ed. 2025, 64, e202514045)
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020 (J. Phys.: Condens. Matter 2021, 33, 233001)

Useful links:
Hayward group: https://users.ox.ac.uk/~iclb0127/
Regoutz group: https://regoutzgroup.org

For further details please contact Michael Hayward (michael.hayward@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

Rechargeable Mg-ion batteries are exciting multivalent, Earth-abundant alternatives to Li-ion batteries. Divalent Mg²⁺ ions shuttle twice the charge per ion as conventional Li⁺ or Na⁺ ions offering a route to batteries with significantly higher energy density. However, the high charge density of Mg²⁺ means diffusion through transition metal oxide cathode materials with ‘hard’ O^2- anions is typically very slow. To overcome this, we propose to investigate novel transition metal oxychlorides with layers of ‘softer’ chloride ions which introduce a van der Waals gap to facilitate Mg intercalation. We will take a powerful combined experimental-machine-learning-modelling approach to understand how to maximise the diffusivity of Mg²⁺ in these cathodes, ultimately enabling us to realise the full capacity benefits of the divalent Mg²⁺ ion.

Key publications:
Mg-rich disordered rocksalt oxide cathodes for Mg-ion batteries (J. Mater. Chem. A 2024, 12, 27303)
MgFeSiO4 as a potential cathode material for magnesium batteries: ion diffusion rates and voltage trends (J. Mater. Chem. A 2017, 5, 13161)

Useful links:
House group: https://www.housegroupoxford.com
Islam group: https://saifulgroupox.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Saiful Islam (saiful.islam@materials.ox.ac.uk)

High-valent redox processes of common, earth-abundant transition metals (e.g. Fe^4+/5+) offer a route to achieve high voltage cathode materials for next generation batteries. Electrochemical de-intercalation of Li-ions is a ‘soft’ chemical approach which enables access to the study of these metastable oxidation states. This project will involve the synthesis of novel, high valent cathode materials and their study using advanced operando characterisation (i.e. during battery operation). With state-of-the-art X-ray spectroscopy tools, underpinned by spectral modelling, we aim to understand the nature and dynamics of metal-ligand covalency in cathodes where transition metals can access these rare, high valence states. This understanding will ultimately enable the design of new cathode materials for high-performance batteries.

Key publications:
Delocalized electron holes on oxygen in a battery cathode (Nature Energy 2023, 8, 351)
Distinguishing bulk redox from near-surface degradation in lithium nickel oxide cathodes (Energy Environ. Sci. 2024, 17, 8379)

Useful links:
House group: https://www.housegroupoxford.com
Weatherup group: https://emi.materials.ox.ac.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Robert Weatherup (robert.weatherup@materials.ox.ac.uk)

Living systems rely on sophisticated membranes that regulate the movement of water, ions and molecules with remarkable precision. Replicating these capabilities using synthetic materials could enable advances in healthcare, water purification and nanoscale technologies. This project will develop a new generation of degradable polymers that self-assemble to mimic cell-membranes, inform upon transport mechanisms and provide
miniature reaction vessels. By understanding how molecular design influences transport and compartmentalisation, the research will establish the design principles for creating functional materials that interact with biological and artificial membranes. The polymers will be prepared using controlled and metal catalysed processes, enabling unprecedented control over sequence, chain length, architecture and tacticity: all features which are currently hard to control and yet likely to play fundamental roles in molecular transport mechanisms. Interdisciplinary training includes catalysis, polymer synthesis, materials characterisation, supramolecular chemistry and membrane science, and advanced fluorescence techniques to investigate membrane interactions, transport and catalytic processes.

Key publications:
Controlled Polymerization Catalysis for the Synthesis of Degradable Amphiphilic Polycarbonates from CO₂ (J. Am. Chem. Soc. 2026, 148, 7426)
Near-Infrared Triggered Anion Transport Induces Cancer Cell Death (Angew. Chem. Int. Ed. 2026, 65, e23734)

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk ) and/or Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

This project will establish the atomic-scale design principles governing advanced functional oxide thin films, providing the scientific foundation for next-generation optoelectronic devices. By linking atomic structure to device performance, it seeks to enable breakthroughs in high-efficiency solar cells and accelerate the transition to sustainable energy technologies.

Useful links:
Lozano-Perez group: https://nanoanalysis.web.ox.ac.uk/
Bonilla group: https://interface.materials.ox.ac.uk/

For further details please contact Sergio Lozano-Perez (sergio.lozano-perez@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Fusion energy demands materials that remain dependable under extreme heat and irradiation. This project explores how to manufacture tungsten-based shielding composites with stronger, more damage-tolerant interfaces. You will design low-activation compositions, compare advanced sintering routes and connect processing history to grain-and phase-boundary behaviour. Advanced electron microscopy, micromechanical testing and helium-ion irradiation will reveal where damage accumulates and how embrittlement can be reduced. The work combines hands-on manufacturing with nanoscale analysis and collaboration across academic groups. Applicants from varied scientific and technical backgrounds are warmly encouraged; training will support both specialist expertise and a broad manufacturing perspective.

Key publications:
Effect of chromium doping on the grain boundary character of WC-Co (arXiv:1407.6051v1 [cond-mat.mtrl-sci])
A unified framework for grain boundary distributions in textured materials (arXiv:2604.17997v1 [cond-mat.mtrl-sci])

Useful links:
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html
Armstrong group: https://www.materials.ox.ac.uk/peoplepages/armstrong.html
OMG Group: https://omg.web.ox.ac.uk/

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

This project will develop new solid-state ionic materials for controlled electrochemical doping in neuromorphic electronics. Organic synaptic transistors are promising low-power devices, but most still rely on liquid electrolytes or liquid-like ion-gels, which limit miniaturisation, stability and circuit integration. We will address this by synthesising new solid-state ionic liquids (SSILs) and incorporating them into all-solid-state organic semiconductor architectures, including OSC blends and ion-gel/OSC bilayers. Using our recently developed state-independent ionic matrices (McGonigal et al. Science 2025), we will investigate inorganic cations for controlled n-type doping and selected inorganic anions for p-type doping, while determining how ion properties such as size and charge density influence device performance. By combining the McGonigal group’s expertise in solid-state ionic materials with the Kim group’s expertise in mixed conductors, operando spectroscopy and synaptic transistors, the project will establish design rules linking SSIL structure, ion–semiconductor interactions and neuromorphic device function.

Key publications:
State-Independent Ionic Conductivity (Science 2025, 390, 1254)
Polarons in DPP Polymers – How Glycol Side Chains and Elongated Conjugated Backbone Influence the Formation and Transport (Advanced Electronic Materials 2026, 12, e00731)

Useful links:
McGonigal group: https://www.mcgonigalgroup.com/
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Paul McGonigal (paul.mcgonigal@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Water splitting is central to a green hydrogen economy, and nickel phosphides are standout catalysts because they deliver platinum-like hydrogen evolution activity while using abundant, low-cost sustainable elements. Despite the promise of nickel phosphides for hydrogen evolution, the fundamental mechanisms underlying their catalytic activity remains poorly understood. This project will address this challenge by synthesising atomically precise nickel phosphide clusters as molecular models of bulk materials, enabling mechanistic insight into active-site structure and reactivity, while extending these studies to multimetallic systems that mimic ternary phosphides and developing new precursor platforms for next-
generation catalyst synthesis. This project will provide training in a broad range of cutting-edge techniques, including in synthetic and air-sensitive chemistry, homogeneous and heterogeneous chemistry, spectroscopic characterisation and X-ray crystallography (including at international facilities), magnetometry, computational chemistry, mechanistic elucidation, and catalytic evaluation.

Key publications:
Catalytic Nitrous Oxide Degradation with Group 15 Clusters (J. Am. Chem. Soc. 2025, 147, 30317)
Sr₂MnO₂Na_1.6Se₂: A Metamagnetic Layered Oxychalcogenide Synthesized by Reductive Na Intercalation to Break [Se₂]^2-Perselenide Dimer Units (Chem. Mater. 2024, 36, 5730)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Clarke grouop: https://clarkegroup.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Simon Clarke (simon.clarke@chem.ox.ac.uk)

Under ultrahigh pressures (10–200 GPa), metal nitride materials stabilise long-chain nitrogen species ([N_n], n>3) that are predicted to possess unusual bonding and electronic structures. However, the strong thermodynamic driving force to eliminate N₂
renders these nitrogen structures highly reactive under ambient conditions. Their capture under ambient conditions is necessary to enable a comprehensive understanding of their electronic structure and reactivity. One strategy to stabilise these elusive materials is to capture them in macrocycles, where supramolecular interactions can have a minimal/controlled perturbation on their electronic structures. In this proposal, we will capture long chains of nitrogen in macrocycles, study their photochemical and redox properties, and explore their reversible stimuli-responsive geometric and electronic switching. This project will provide training in a broad range of cutting-edge techniques, including multi-step chemical synthesis and air-sensitive methods, spectroscopic characterisation, X-ray crystallography, computational chemistry, and supramolecular chemistry techniques.

Key publications:
Crystalline nitrogen chain radical anions (Nat. Chem. 2026, 18, 686)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Langton group: https://langtonrg.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Matthew Langton (matthew.langton@chem.ox.ac.uk)

This project is focused on the development of sustainable organoiron complexes and iron-catalysed reactions for modern chemical synthesis. The project aims to push the boundaries of organoiron chemistry from the historical focus on lower valent complexes supported by p-acceptor ligands to high-valent organoiron chemistry (for example, Fe(IV) and beyond). The project will involve synthetic organometallic chemistry, structural and
spectroscopic characterisation of organoiron complexes, and investigation of their applications in both stoichiometric reactions and catalysis for synthetic transformations including C-C and C-N couplings. Further studies will focus on high-valent iron-carbenes for cyclopropanation and olefin metathesis which remains a significant challenge in the field of small molecule catalysis. The results of this project will contribute to the sustainable
introduction of molecular complexity in chemical transformations central to the production of pharmaceuticals and fine chemicals.

Key publications:
Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C–H activation (Chem. Sci. 2026, 17, 7002)

Useful links:
Neidig group: https://theneidiglab.web.ox.ac.uk/
Donohoe group: https://tjdonohoe.web.ox.ac.uk

For further details please contact Michael Neidig (michael.neidig@chem.ox.ac.uk)

Magnetic resonance imaging (MRI) is one of the most widely used clinical diagnostic tools and often relies on contrast agents to enhance image quality. Current clinical agents are based on gadolinium (Gd), but concerns about its long-term accumulation and toxicity have driven the search for safer alternatives. This PhD project will develop a new generation of iron-based MRI contrast agents using innovative protein-inspired molecular scaffolds known as coiled coils. These scaffolds have already shown promise in improving the efficiency of MRI contrast agents, potentially allowing lower doses to be used. The project will investigate how coiled-coil ligands bind iron and how these complexes can be optimised for MRI applications. The successful candidate will gain interdisciplinary training in computational protein design, molecular synthesis, spectroscopic characterisation, and magnetic resonance methods, working across the Peacock and Neidig laboratories to develop safer and more effective
imaging agents.

Key publications:
Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents (J. Am. Chem. Soc. 2025, 147, 42583)
Design of the elusive proteinaceous oxygen donor copper site suggests a promising future for copper for MRI contrast agents (PNAS 2023, 120, e2219036120)

Useful links:
Peacock group: https://peacockresearch.wordpress.com/
Neidig group: https://theneidiglab.web.ox.ac.uk/

For further details please contact Anna Peacock (a.f.a.peacock@bham.ac.uk) and/or Michael Neidig (michael.neidig@chem.ox.ac.uk)

This project develops new methods to produce sustainable methanol from atmospheric CO₂ using gas-phase photocatalysis. Decarbonising the chemical industry, responsible for 5–7% of global greenhouse gas emissions, is essential for achieving net zero. Large-volume chemicals such as methanol, ethylene, and ammonia account for around 75% of these emissions. Gas-phase photocatalytic methanol synthesis from CO₂ and H₂ is particularly attractive because the reaction is thermodynamically favourable at low temperatures and moderate pressures. However, progress requires both improved catalyst design and highly sensitive methods to quantify the low product concentrations initially formed. In this project, the student will develop a real-time methanol sensor based on diode laser cavity-enhanced spectroscopy in the Ritchie group and integrate it with state-of-the-art gas chromatography–coupled photocatalysis systems in the Steier group. This will enable fundamental studies of how catalyst surface chemistry and defects govern methanol production, guiding the design of more efficient photocatalysts.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Determining Water Transport Kinetics in Limestone by Dual-Wavelength Cavity Ring-Down Spectroscopy (Anal. Chem. 2022, 94, 3126)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Ritchie group: https://www.chem.ox.ac.uk/people/grant-ritchie

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

Artificial photosynthesis offers a sustainable route to produce hydrogen using renewable electricity, but conventional photocatalysis is fundamentally limited by the solar spectrum. This project will overcome this limitation by developing an LED-driven photocatalytic platform in which the light source and photocatalyst are engineered together. The student will fabricate high-efficiency blue and UV perovskite LEDs in the Snaith group and integrate them with oxide photocatalysts in the Steier group for photocatalytic hydrogen production. By tailoring both the LED emission spectrum and photocatalyst bandgap, the project will establish design rules for maximising quantum efficiency while minimising optical losses. The work combines semiconductor materials synthesis, optoelectronic device fabrication, photocatalysis and photoreactor engineering, providing interdisciplinary training across Chemistry and Physics. Ultimately, the project aims to demonstrate a prototype LED-driven artificial photosynthesis reactor and establish a new paradigm for electrically powered photocatalysis.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Ligand-engineered bandgap stability in mixed-halide perovskite LEDs (Nature 2021, 591, 72)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Snaith group: https://www.physics.ox.ac.uk/research/group/photovoltaic-optoelectronic-device-group

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Henry Snaith (henry.snaith@physics.ox.ac.uk)

There is a global effort to identify solid-state materials where single electronic and nuclear spins can be controlled optically, as these systems form the basis of emerging quantum technologies. Molecules present an exciting platform due to their rich photophysics, well-defined structures and synthetic tunability. Recent work has shown that conjugated molecules have electronic spins that can be optically coherently controlled at room temperature, even when immobilised on surfaces of 2D materials. Combined, these are the necessary ingredients for next-generation quantum sensors with atomic-scale proximity to target spins. However, to date there has been limited optimisation of the molecular qubit and its coupling to the 2D surface. In this project, we will combine aspects of molecular photophysics, optically detected magnetic resonance, 2D materials, defect physics, and chemical synthesis to train the candidate in the unique and timely skillset necessary to identify and develop hybrid molecular/2D platforms for quantum sensing.

Key publications:
Follow links below for recent papers from the two groups.

Useful links:
Stern group: https://www.sternlab.co.uk/
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave

For further details please contact Hannah Stern (hannah.stern@materials.ox.ac.uk) and/or Daniel Congrave (dan.congrave@chem.ox.ac.uk)

Quantum sensors are opening up exciting new ways to study the world at the smallest scales. This project explores whether fluorescent defects in hexagonal boron nitride can be used to detect the magnetic signals produced by living cells. Because hBN is atomically thin, it can bring the sensor extremely close to biological activity, making it a promising platform for high-resolution, label-free measurements. The project will focus on improving the material’s biocompatibility and testing it in optogenetically modified neurons. By combining quantum materials, surface chemistry and neuroscience, this research could help create a new kind of tool for studying brain cells and other dynamic biological systems.

Key publications:
How quantum biosensing is transforming healthcare (Nature Reviews Physics 2025, 7, 672)
Quantum sensors for biomedical applications (Nature Reviews Physics 2023, 5, 157)

Useful links:
Stevens group: https://www.stevensgroup.org
Stern group: https://www.sternlab.co.uk/

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.ox.ac.uk)

The oxygen evolution reaction is the major efficiency bottleneck in water electrolysers used for green hydrogen production. Ruthenium-based catalysts offer exceptional activity and are more abundant and lower-cost than current iridium-based catalysts, however their poor long-term stability has limited widespread adoption. This project will investigate how alloying can improve the stability of Ru-based catalysts while maintaining their high activity under application-relevant current densities. Automated synthesis of compositionally controlled nanoparticle libraries will be combined with high-throughput electrochemical screening using floating electrode methods and advanced operando optical spectroscopy. By correlating catalyst composition, electrochemical performance and the chemical state of the catalyst during operation, we aim to reveal how alloying modifies the active species and reaction pathways responsible for oxygen evolution. This mechanistic understanding will establish design principles for the rational development of next-generation electrocatalysts for sustainable hydrogen production.

Key publications:
Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies (Nature Materials 2026, 25, 799)
A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies (ChemRxiv 2026)

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or James Durrant (james.durrant@chem.ox.ac.uk)

Highly controlled polymerization catalysts using renewable resources will be developed to make polymers featuring regular sites for metal or ion coordination both to improve properties and deliver built-in recycling catalysts. Coordination chemistry, with earth abundant metals, will be used to both re-enforce material structures delivering high-performance elastomers and ionomers. Electrical triggers will be explored for material shape and property changes. At end-life, materials are designed to deliver catalysed closed loop material recycling with minimal energy input and maximised efficiency.

Key publications:
The Science of Polymer Chemical Recycling Catalysis: Uncovering Kinetic and Thermodynamic Linear Free Energy Relationships (J. Am. Chem. Soc. 2025, 147, 22734)
Function Meets Circularity: Metal–Ionomer Cross-Links Toughen and Recycle CO2‑Derived Polymers (Macromolecules 2026, 59, 3649)

Useful links:
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home
McCulloch group: https://mcculloch.web.ox.ac.uk

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

Phosphorus nanomaterials have attracted increasing attention owing to advances in their synthesis and characterisation, together with their remarkable electronic properties. Fibrous phosphorus is a recently discovered allotrope comprising intertwined one-dimensional double tubes that stack through van der Waals interactions into three-dimensional crystals. Its distinctive structure gives rise to promising electronic and mechanical properties and has led to its proposal as a high-capacity anode material for lithium- and sodium-ion batteries. This project will combine atomistic modelling and experimental characterisation to understand the structural, electronic, and chemical properties of fibrous phosphorus. The student will use classical simulations and recently developed machine-learning interatomic potentials to investigate structure and electronic behaviour providing guidance for experimental synthesis. Based in Physical and Theoretical Chemistry, the student will work closely with collaborators at UCL and in Materials to establish structure–property relationships that underpin the rational design and optimisation of fibrous phosphorus for energy storage applications.

Key publications:
Magnetically and optically active edges in phosphorene nanoribbons (Nature 2025, 639, 348)
Exfoliation of Fibrous Phosphorus into Nanofibers Reaching the Size of Individual Double Tubes (ChemRxiv 2026)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Johnston group: https://www-thz.physics.ox.ac.uk

For further details please contact Mark Wilson (mark.wilson@chem.ox.ac.uk)

This project will explore the synthesis of metalloporphyrins for fabrication of solar cells via thermal vacuum sublimation. We will start by investigating electron-deficient metalloporphyrins and use these compounds to fabricate multilayer bulk heterojunction devices, by combining them with electron-rich organic semiconductors in donor/acceptor architectures. We will seek to optimise factors such as: (a) the HOMO and LUMO level alignment between donor and acceptor, (b) the lifetimes of singlet and triplet exited states, and the rate of intersystem crossing, (c) the exciton diffusion length and charge carrier mobility, (d) the molecular packing arrangement and crystallinity of the thin films, (e) performance in solar cells The goal of this project is to identify novel compounds, understand their properties and optimise corresponding solar cells to improve their power conversion efficiency and lifetime.

Useful links:
Anderson group: http://hla.chem.ox.ac.uk
Riede group: https://www.physics.ox.ac.uk/research/afmd-group

For further details please contact Harry Anderson (harry.anderson@chem.ox.ac.uk) and/or Moritz Riede (moritz.riede@physics.ox.ac.uk)

Altermagnets are a rapidly emerging special class of magnetic material with potential applications in spintronics. They are antiferromagnets, so, unlike ferromagnets, they are not influenced by stray magnetic fields and this can enable, for example, magnetic data storage at high densities with high fidelity. Particular symmetry properties of the crystal and magnetic structures of altermagnets are required to enable them to perform the functions required of high-density spintronic devices. This project will identify new candidate altermagnets amongst transition metal oxides, sulfides and phosphides and related mixed- anion materials, and control their compositions (e.g. to introduce transition metal mixed-valence, and the strengths of magnetic interactions) to optimise their magnetic ordering and electronic conductivity. This project will build on promising preliminary results from the project supervisory team. The student will become expert in solid-state synthesis using high-and low-temperature techniques, crystallography and cutting-edge X-ray, neutron and muon spectroscopies at International Facilities.

Key publications:
Structures and Magnetic Ordering in Layered Cr Oxide Arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs (Inorg. Chem. 2022, 61, 12373)
X-ray magnetic circular dichroism evidence of intrinsic d-wave altermagnetism in rutile-structure NiF₂ (arXiv:2603.03694 [cond-mat.str-el])

Useful links:
Clarke group: https://clarkegroup.web.ox.ac.uk

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk) and/or Andrew Boothroyd (andrew.boothroyd@physics.ox.ac.uk)

This project offers an opportunity to gain a wide skillset across synthetic and physical chemistry and photophysics. It involves the design and synthesis of organometallic and coordination complexes and their characterisation via optical and vibrational spectroscopy. Molecular materials with near-infrared (NIR) bandgaps have implications spanning traditional scientific disciplines, not limited to solar energy, sensing and imaging. However, as a consequence of “the energy gap law”, current NIR molecular materials convert a substantial portion of the energy stored in their excited states to heat, rather than useful light or electricity. The coupling of excited states to vibrations, which mediates this thermal loss process, is the key phenomenon which we must control. The outcomes of this project – the development of structural strategies to tune the vibrations in molecules completely independently of their electronic properties – will enable us to build new fundamental understanding to design and synthesise materials that beat the energy gap law.

Key publications:
A Simple Molecular Design Strategy for Delayed Fluorescence toward 1000 nm (J. Am. Chem. Soc. 2019, 141, 18390)
Understanding Effects of Alkyl Side-Chain Density on Polaron Formation Via Electrochemical Doping in Thiophene Polymers (Adv. Mat. 2023, 36, 2211184)

Useful links:
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Daniel Congrave (dan.congrave@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Sufficiently conductive two-dimensional films have a capacitative fingerprint that is highly responsive to the dielectric changes associated with any molecular recognition event that occurs at their surface. Two-dimensional transition metal-organic frameworks (2D MOFs), including those that are redox responsive, have potential powerful applications in energy storage and diagnostics if they can be suitably receptor modified. This project will investigate the generation of electrochemically addressable transition metal MOF films, their capacitative charging, and the peripheral modification of these with biological receptors such that clinically-relevant biological targets can be detected.

Key publications:
Chemiresistive Polymer Percolation Network Gas Sensor Created with a Nanosphere Template (Adv. Mater. Interfaces 2023, 2202042)
Conductive metal-organic framework synthesis from metal nanoparticle precursors (Journal of Physics: Materials 2025, 8, 025004)

Useful links:
Davis group: http://jjdgroup.co.uk
Castell group: https://users.ox.ac.uk/~mrc/

For further details please contact Jason Davis (Jason.davis@chem.ox.ac.uk) and/or Martin Castell (martin.castell@materials.ox.ac.uk)

Silicate ceramics are technologically important materials, with practical applications ranging from dielectrics, refractories, and environmental barrier coatings to piezoelectrics. Yet, ceramic materials typically contain grain boundaries, and understanding the nature of those remains difficult. This project will develop a computational framework that moves beyond a few idealised interfaces and instead studies thousands of grain boundaries, including distinct complexion states. Machine-learning-based interatomic potential (MLIP) models will provide atomic-resolution descriptions of complex grain boundaries, and these simulations will be closely linked to experimental data on complexion transitions. The project will therefore build new computational capabilities to link atomistic grain-boundary structure, complexion populations, and mesoscale microstructure evolution in ceramics. It is suited to a student interested in machine learning, atomistic simulation, and microstructure modelling.

Key publications:
Reversible grain boundary complexion transition explains cratonic lithosphere anomalies (arXiv:2504.19784v2 [physics.geo-ph])
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS₃ (J. Mater. Chem. A 2025, 13, 35447)

Useful links:
Deringer group: https://deringer.chem.ox.ac.uk
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html

For further details please contact Volker Deringer (volker.deringer@chem.ox.ac.uk) and/or Tinka Marquardt (katharina.marquardt@materials.ox.ac.uk)

This project explores all-optical memory devices based on WO₃, a photoactive oxide in which resistance states can be written and erased using light. Such contactless all-optical operation offers a route to fast, energy-efficient memory functions for advanced photonic and neuromorphic computing technologies. However, current WO₃ devices are limited by weak photocurrents, instability, and poor reproducibility, often governed by defects and interface barriers. This project targets these challenges by integrating plasmonic nanostructures to confine and enhance light at the nanoscale, boosting photocurrent and enabling faster, more reliable switching. The work combines thin film fabrication, nanofabrication, and electrical and optical characterisation to understand and control light–matter interactions in functional oxides. By linking nanoscale structure to device performance, the project aims to establish plasmonic-enhanced WO₃ as a scalable platform for optical memory technologies.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Bonilla group: https://interface.materials.ox.ac.uk/people/dr-ruy-sebastian-bonilla

For further details please contact Giuliana Di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Ternary chalcogenides are emerging as a highly promising class of materials for energy applications, including photovoltaics and thermoelectrics, where they exhibit high performance, high stability and cost-effective processing. However, the fundamental structure-performance relationships are not well understood, yet are critical for achieving further breakthroughs in device performance. Recently, we made the surprising discovery of second harmonic generation in AgBiS₂, suggesting local symmetry breaking to be present, despite its widely-assumed centrosymmetric rocksalt structure. This project combines advanced synthesis of the wider ternary chalcogenide family of materials with state-of-the-art nonlinear optical microscopy, ultrafast spectroscopy and advanced diffraction methods to understand the links between composition and local structural symmetry on charge-carrier transport. The project brings together the complementary expertise of the Hoye group in developing emerging photovoltaic semiconductors and the Di Martino group in advanced nonlinear optical characterisation of polar materials, together with collaboration with the Clarke group on advanced structural analysis. The resulting understanding will not only guide the development of more efficient photovoltaic and thermoelectric materials, but also open up the application of these ternary chalcogenides in nonlinear photonics, neuromorphic computing and non-volatile memory.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)
Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers (arXiv:2602.22024v1 [cond-mat.mtrl-sci])

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Hoye group: https://hoyegroup.site.ox.ac.uk/home

For further details please contact Giuliana di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

Reaching net-zero requires carbon capture and the decarbonisation of the chemicals industry. Both challenges can be addressed with devices that capture CO₂ from the atmosphere and photocatalytically convert it to green feedstock that can be used to produce fuels. This project focusses on on development and spectroscopic analysis of stable inorganic light harvesters that can be used for atmospheric CO₂ capture and reduction, as well as the complementary water oxidation reactions.

Key publications:
Long-term solar water and CO₂ splitting with photoelectrochemical BiOI–BiVO₄ tandems (Nat. Mat. 2022, 21, 864)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact James Durrant (james.durrant@chem.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

his project will explore the development of lanthanide complexes as building blocks that can be incorporated onto solid and polymer supports and used to sense volatile chiral molecules and biomarkers. It will involve a mix of synthetic chemistry, spectroscopy and data analysis. The key goal of the project is to demonstrate and refine the concept of sensing chiral molecules with fluxional, but kinetically stable, lanthanide complexes through circular polarised luminescence spectroscopy and cavity ringdown polarimetry.

Key publications:
Speciation and Luminescence of a Binuclear Lanthanide Complex Bearing an Aminophenolate Chromophore (Chem. Eur. J. 2025, 31, e02305)
Continuous-wave cavity ringdown for high-sensitivity polarimetry and magnetometry measurements (J. Chem. Phys. 2024, 160, 054201)

Useful links:
Faulkner group: http://faulkner.chem.ox.ac.uk
Vincent group: https://ritchie.chem.ox.ac.uk/home

For further details please contact Steve Faulkner (Stephen.faulkner@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

Emerging evidence suggests that chiral materials can selectively filter electrons according to their spin, offering a promising route towards low-power, room-temperature spintronic devices with potential applications in quantum technologies. However, the fundamental mechanisms underlying this spin-selective behaviour remain poorly understood, with the interface between the metal and chiral material thought to play a critical role. This project will combine chiral materials chemistry with advanced characterisation techniques to uncover the origins of spin selectivity, establish how interfacial structure and composition govern the effect, and develop strategies to maximise it. These insights will provide a foundation for the design and manufacture of next-generation spintronic technologies.

Key publications:
Chiral Induced Spin Selectivity (Chem. Rev. 2024, 124, 1950)
Short video on chiral materials for spin control: link

Useful links:
Fuchter group: https://fuchtergroup.site.ox.ac.uk
Regoutz group: https://regoutzgroup.org

For further details please contact Matthew Fuchter (matthew.fuchter@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

This project explores the development of amorphous SiO₂-TiO₂ thin films for advanced coatings with applications in energy, optics, and environmental technologies. These hybrid films combine optical transparency, photocatalytic activity, and mechanical durability, yet the structure-property relationships that govern their performance remain poorly understood: unlike crystalline materials, disordered oxides lack the periodic structure that makes them tractable to conventional simulation and design. The project addresses this challenge by combining sol-gel synthesis and thermal processing, which offer precise control over porosity and film architecture, with machine-learning-driven simulations based on state-of-the-art interatomic potential models. Advanced characterisation, including electron microscopy, Raman spectroscopy, and surface analysis, will link atomic-scale disorder, particularly Ti–O–Si bonding environments, to measurable properties such as refractive index, wettability, and photocatalytic efficiency. Bridging experimental and computational approaches across two research groups, the project aims at the rational design of sustainable, high-performance inorganic materials.

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Deringer group: https://www.chem.ox.ac.uk/people/volker-deringer

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Volker Deringer (volker.deringer@chem.ox.ac.uk)

New opportunities in hydrogenation catalysis are opening up where the carbon support itself serves as the site of reduction for organic molecules, using electrons fed from a separate H₂ activation site. That activation site could be an enzyme, a metal complex, or a nanoparticle. Doping carbon nanotubes with nitrogen creates more reactive sites, but nanotubes remain difficult to handle in practical catalysis.
This project explores carbon fibre materials made from biomass-derived precursors as practical and reactive catalyst supports for selective hydrogenations. Unlike nanotubes, these fibres are macroscopic, easily handled, and readily separated from reaction mixtures, while offering tunable surface chemistry, controllable nitrogen doping, and high electrical conductivity. Their sustainable, low-cost origin adds further appeal.
The project will evaluate these carbon materials, in conjunction with immobilised bio- or chemo-catalysts for H₂ activation, as sustainable supports for mild, selective hydrogenation chemistry.

Key publications:
Unveiling the Mechanism of the in Situ Formation of 3D Fiber Macroassemblies with Controlled Properties (ACS Nano 2023, 17, 6800)
Selective hydrogenation of nitro compounds to amines by coupled redox reactions over a heterogeneous biocatalyst (Nat Commun 2024, 15, 7297)

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Vincent group: https://vincent.web.ox.ac.uk/

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

Transition-metal oxides are ubiquitous in technology. However, as the majority of materials are prepared at high temperature, 4d and 5d transition-metals tend to be incorporated into oxides in high oxidation states (≥ M⁴⁺). Utilizing topochemical synthesis methods (cation exchange, topochemical reduction) this project aims to prepare novel oxides containing late 4d and 5d transition-metal cations (Ru, Rh, Re, Os, Ir) in low oxidation states (M¹⁺, M²⁺, M³⁺) and then study their local electronic states via X-ray photoelectron spectroscopy. The goal is to understand how the unusual combination of factors particular to low-valent 4d and 5d transition metal cations (high electron count, strong ligand-field interaction, strong spin-orbit coupling) give rise to the local electronic configurations of the metals, and how this leads to their physical and chemical properties. The student will receive training and develop skills in both complex synthesis in the Hayward labs and advanced electronic spectroscopy in the Regoutz group.

Key publications:
Controlling the Regioselectivity of Topochemical Reduction Reactions Through Sequential Anion Insertion and Extraction (Angew. Chem. Int. Ed. 2025, 64, e202514045)
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020 (J. Phys.: Condens. Matter 2021, 33, 233001)

Useful links:
Hayward group: https://users.ox.ac.uk/~iclb0127/
Regoutz group: https://regoutzgroup.org

For further details please contact Michael Hayward (michael.hayward@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

Rechargeable Mg-ion batteries are exciting multivalent, Earth-abundant alternatives to Li-ion batteries. Divalent Mg²⁺ ions shuttle twice the charge per ion as conventional Li⁺ or Na⁺ ions offering a route to batteries with significantly higher energy density. However, the high charge density of Mg²⁺ means diffusion through transition metal oxide cathode materials with ‘hard’ O^2- anions is typically very slow. To overcome this, we propose to investigate novel transition metal oxychlorides with layers of ‘softer’ chloride ions which introduce a van der Waals gap to facilitate Mg intercalation. We will take a powerful combined experimental-machine-learning-modelling approach to understand how to maximise the diffusivity of Mg²⁺ in these cathodes, ultimately enabling us to realise the full capacity benefits of the divalent Mg²⁺ ion.

Key publications:
Mg-rich disordered rocksalt oxide cathodes for Mg-ion batteries (J. Mater. Chem. A 2024, 12, 27303)
MgFeSiO4 as a potential cathode material for magnesium batteries: ion diffusion rates and voltage trends (J. Mater. Chem. A 2017, 5, 13161)

Useful links:
House group: https://www.housegroupoxford.com
Islam group: https://saifulgroupox.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Saiful Islam (saiful.islam@materials.ox.ac.uk)

High-valent redox processes of common, earth-abundant transition metals (e.g. Fe^4+/5+) offer a route to achieve high voltage cathode materials for next generation batteries. Electrochemical de-intercalation of Li-ions is a ‘soft’ chemical approach which enables access to the study of these metastable oxidation states. This project will involve the synthesis of novel, high valent cathode materials and their study using advanced operando characterisation (i.e. during battery operation). With state-of-the-art X-ray spectroscopy tools, underpinned by spectral modelling, we aim to understand the nature and dynamics of metal-ligand covalency in cathodes where transition metals can access these rare, high valence states. This understanding will ultimately enable the design of new cathode materials for high-performance batteries.

Key publications:
Delocalized electron holes on oxygen in a battery cathode (Nature Energy 2023, 8, 351)
Distinguishing bulk redox from near-surface degradation in lithium nickel oxide cathodes (Energy Environ. Sci. 2024, 17, 8379)

Useful links:
House group: https://www.housegroupoxford.com
Weatherup group: https://emi.materials.ox.ac.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Robert Weatherup (robert.weatherup@materials.ox.ac.uk)

Living systems rely on sophisticated membranes that regulate the movement of water, ions and molecules with remarkable precision. Replicating these capabilities using synthetic materials could enable advances in healthcare, water purification and nanoscale technologies. This project will develop a new generation of degradable polymers that self-assemble to mimic cell-membranes, inform upon transport mechanisms and provide
miniature reaction vessels. By understanding how molecular design influences transport and compartmentalisation, the research will establish the design principles for creating functional materials that interact with biological and artificial membranes. The polymers will be prepared using controlled and metal catalysed processes, enabling unprecedented control over sequence, chain length, architecture and tacticity: all features which are currently hard to control and yet likely to play fundamental roles in molecular transport mechanisms. Interdisciplinary training includes catalysis, polymer synthesis, materials characterisation, supramolecular chemistry and membrane science, and advanced fluorescence techniques to investigate membrane interactions, transport and catalytic processes.

Key publications:
Controlled Polymerization Catalysis for the Synthesis of Degradable Amphiphilic Polycarbonates from CO₂ (J. Am. Chem. Soc. 2026, 148, 7426)
Near-Infrared Triggered Anion Transport Induces Cancer Cell Death (Angew. Chem. Int. Ed. 2026, 65, e23734)

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk ) and/or Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

This project will establish the atomic-scale design principles governing advanced functional oxide thin films, providing the scientific foundation for next-generation optoelectronic devices. By linking atomic structure to device performance, it seeks to enable breakthroughs in high-efficiency solar cells and accelerate the transition to sustainable energy technologies.

Useful links:
Lozano-Perez group: https://nanoanalysis.web.ox.ac.uk/
Bonilla group: https://interface.materials.ox.ac.uk/

For further details please contact Sergio Lozano-Perez (sergio.lozano-perez@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Fusion energy demands materials that remain dependable under extreme heat and irradiation. This project explores how to manufacture tungsten-based shielding composites with stronger, more damage-tolerant interfaces. You will design low-activation compositions, compare advanced sintering routes and connect processing history to grain-and phase-boundary behaviour. Advanced electron microscopy, micromechanical testing and helium-ion irradiation will reveal where damage accumulates and how embrittlement can be reduced. The work combines hands-on manufacturing with nanoscale analysis and collaboration across academic groups. Applicants from varied scientific and technical backgrounds are warmly encouraged; training will support both specialist expertise and a broad manufacturing perspective.

Key publications:
Effect of chromium doping on the grain boundary character of WC-Co (arXiv:1407.6051v1 [cond-mat.mtrl-sci])
A unified framework for grain boundary distributions in textured materials (arXiv:2604.17997v1 [cond-mat.mtrl-sci])

Useful links:
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html
Armstrong group: https://www.materials.ox.ac.uk/peoplepages/armstrong.html
OMG Group: https://omg.web.ox.ac.uk/

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

This project will develop new solid-state ionic materials for controlled electrochemical doping in neuromorphic electronics. Organic synaptic transistors are promising low-power devices, but most still rely on liquid electrolytes or liquid-like ion-gels, which limit miniaturisation, stability and circuit integration. We will address this by synthesising new solid-state ionic liquids (SSILs) and incorporating them into all-solid-state organic semiconductor architectures, including OSC blends and ion-gel/OSC bilayers. Using our recently developed state-independent ionic matrices (McGonigal et al. Science 2025), we will investigate inorganic cations for controlled n-type doping and selected inorganic anions for p-type doping, while determining how ion properties such as size and charge density influence device performance. By combining the McGonigal group’s expertise in solid-state ionic materials with the Kim group’s expertise in mixed conductors, operando spectroscopy and synaptic transistors, the project will establish design rules linking SSIL structure, ion–semiconductor interactions and neuromorphic device function.

Key publications:
State-Independent Ionic Conductivity (Science 2025, 390, 1254)
Polarons in DPP Polymers – How Glycol Side Chains and Elongated Conjugated Backbone Influence the Formation and Transport (Advanced Electronic Materials 2026, 12, e00731)

Useful links:
McGonigal group: https://www.mcgonigalgroup.com/
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Paul McGonigal (paul.mcgonigal@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Water splitting is central to a green hydrogen economy, and nickel phosphides are standout catalysts because they deliver platinum-like hydrogen evolution activity while using abundant, low-cost sustainable elements. Despite the promise of nickel phosphides for hydrogen evolution, the fundamental mechanisms underlying their catalytic activity remains poorly understood. This project will address this challenge by synthesising atomically precise nickel phosphide clusters as molecular models of bulk materials, enabling mechanistic insight into active-site structure and reactivity, while extending these studies to multimetallic systems that mimic ternary phosphides and developing new precursor platforms for next-
generation catalyst synthesis. This project will provide training in a broad range of cutting-edge techniques, including in synthetic and air-sensitive chemistry, homogeneous and heterogeneous chemistry, spectroscopic characterisation and X-ray crystallography (including at international facilities), magnetometry, computational chemistry, mechanistic elucidation, and catalytic evaluation.

Key publications:
Catalytic Nitrous Oxide Degradation with Group 15 Clusters (J. Am. Chem. Soc. 2025, 147, 30317)
Sr₂MnO₂Na_1.6Se₂: A Metamagnetic Layered Oxychalcogenide Synthesized by Reductive Na Intercalation to Break [Se₂]^2-Perselenide Dimer Units (Chem. Mater. 2024, 36, 5730)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Clarke grouop: https://clarkegroup.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Simon Clarke (simon.clarke@chem.ox.ac.uk)

Under ultrahigh pressures (10–200 GPa), metal nitride materials stabilise long-chain nitrogen species ([N_n], n>3) that are predicted to possess unusual bonding and electronic structures. However, the strong thermodynamic driving force to eliminate N₂
renders these nitrogen structures highly reactive under ambient conditions. Their capture under ambient conditions is necessary to enable a comprehensive understanding of their electronic structure and reactivity. One strategy to stabilise these elusive materials is to capture them in macrocycles, where supramolecular interactions can have a minimal/controlled perturbation on their electronic structures. In this proposal, we will capture long chains of nitrogen in macrocycles, study their photochemical and redox properties, and explore their reversible stimuli-responsive geometric and electronic switching. This project will provide training in a broad range of cutting-edge techniques, including multi-step chemical synthesis and air-sensitive methods, spectroscopic characterisation, X-ray crystallography, computational chemistry, and supramolecular chemistry techniques.

Key publications:
Crystalline nitrogen chain radical anions (Nat. Chem. 2026, 18, 686)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Langton group: https://langtonrg.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Matthew Langton (matthew.langton@chem.ox.ac.uk)

Magnetic resonance imaging (MRI) is one of the most widely used clinical diagnostic tools and often relies on contrast agents to enhance image quality. Current clinical agents are based on gadolinium (Gd), but concerns about its long-term accumulation and toxicity have driven the search for safer alternatives. This PhD project will develop a new generation of iron-based MRI contrast agents using innovative protein-inspired molecular scaffolds known as coiled coils. These scaffolds have already shown promise in improving the efficiency of MRI contrast agents, potentially allowing lower doses to be used. The project will investigate how coiled-coil ligands bind iron and how these complexes can be optimised for MRI applications. The successful candidate will gain interdisciplinary training in computational protein design, molecular synthesis, spectroscopic characterisation, and magnetic resonance methods, working across the Peacock and Neidig laboratories to develop safer and more effective
imaging agents.

Key publications:
Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents (J. Am. Chem. Soc. 2025, 147, 42583)
Design of the elusive proteinaceous oxygen donor copper site suggests a promising future for copper for MRI contrast agents (PNAS 2023, 120, e2219036120)

Useful links:
Peacock group: https://peacockresearch.wordpress.com/
Neidig group: https://theneidiglab.web.ox.ac.uk/

For further details please contact Anna Peacock (a.f.a.peacock@bham.ac.uk) and/or Michael Neidig (michael.neidig@chem.ox.ac.uk)

There is a global effort to identify solid-state materials where single electronic and nuclear spins can be controlled optically, as these systems form the basis of emerging quantum technologies. Molecules present an exciting platform due to their rich photophysics, well-defined structures and synthetic tunability. Recent work has shown that conjugated molecules have electronic spins that can be optically coherently controlled at room temperature, even when immobilised on surfaces of 2D materials. Combined, these are the necessary ingredients for next-generation quantum sensors with atomic-scale proximity to target spins. However, to date there has been limited optimisation of the molecular qubit and its coupling to the 2D surface. In this project, we will combine aspects of molecular photophysics, optically detected magnetic resonance, 2D materials, defect physics, and chemical synthesis to train the candidate in the unique and timely skillset necessary to identify and develop hybrid molecular/2D platforms for quantum sensing.

Key publications:
Follow links below for recent papers from the two groups.

Useful links:
Stern group: https://www.sternlab.co.uk/
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave

For further details please contact Hannah Stern (hannah.stern@materials.ox.ac.uk) and/or Daniel Congrave (dan.congrave@chem.ox.ac.uk)

Quantum sensors are opening up exciting new ways to study the world at the smallest scales. This project explores whether fluorescent defects in hexagonal boron nitride can be used to detect the magnetic signals produced by living cells. Because hBN is atomically thin, it can bring the sensor extremely close to biological activity, making it a promising platform for high-resolution, label-free measurements. The project will focus on improving the material’s biocompatibility and testing it in optogenetically modified neurons. By combining quantum materials, surface chemistry and neuroscience, this research could help create a new kind of tool for studying brain cells and other dynamic biological systems.

Key publications:
How quantum biosensing is transforming healthcare (Nature Reviews Physics 2025, 7, 672)
Quantum sensors for biomedical applications (Nature Reviews Physics 2023, 5, 157)

Useful links:
Stevens group: https://www.stevensgroup.org
Stern group: https://www.sternlab.co.uk/

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.ox.ac.uk)

The oxygen evolution reaction is the major efficiency bottleneck in water electrolysers used for green hydrogen production. Ruthenium-based catalysts offer exceptional activity and are more abundant and lower-cost than current iridium-based catalysts, however their poor long-term stability has limited widespread adoption. This project will investigate how alloying can improve the stability of Ru-based catalysts while maintaining their high activity under application-relevant current densities. Automated synthesis of compositionally controlled nanoparticle libraries will be combined with high-throughput electrochemical screening using floating electrode methods and advanced operando optical spectroscopy. By correlating catalyst composition, electrochemical performance and the chemical state of the catalyst during operation, we aim to reveal how alloying modifies the active species and reaction pathways responsible for oxygen evolution. This mechanistic understanding will establish design principles for the rational development of next-generation electrocatalysts for sustainable hydrogen production.

Key publications:
Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies (Nature Materials 2026, 25, 799)
A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies (ChemRxiv 2026)

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or James Durrant (james.durrant@chem.ox.ac.uk)

Highly controlled polymerization catalysts using renewable resources will be developed to make polymers featuring regular sites for metal or ion coordination both to improve properties and deliver built-in recycling catalysts. Coordination chemistry, with earth abundant metals, will be used to both re-enforce material structures delivering high-performance elastomers and ionomers. Electrical triggers will be explored for material shape and property changes. At end-life, materials are designed to deliver catalysed closed loop material recycling with minimal energy input and maximised efficiency.

Key publications:
The Science of Polymer Chemical Recycling Catalysis: Uncovering Kinetic and Thermodynamic Linear Free Energy Relationships (J. Am. Chem. Soc. 2025, 147, 22734)
Function Meets Circularity: Metal–Ionomer Cross-Links Toughen and Recycle CO2‑Derived Polymers (Macromolecules 2026, 59, 3649)

Useful links:
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home
McCulloch group: https://mcculloch.web.ox.ac.uk

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

Phosphorus nanomaterials have attracted increasing attention owing to advances in their synthesis and characterisation, together with their remarkable electronic properties. Fibrous phosphorus is a recently discovered allotrope comprising intertwined one-dimensional double tubes that stack through van der Waals interactions into three-dimensional crystals. Its distinctive structure gives rise to promising electronic and mechanical properties and has led to its proposal as a high-capacity anode material for lithium- and sodium-ion batteries. This project will combine atomistic modelling and experimental characterisation to understand the structural, electronic, and chemical properties of fibrous phosphorus. The student will use classical simulations and recently developed machine-learning interatomic potentials to investigate structure and electronic behaviour providing guidance for experimental synthesis. Based in Physical and Theoretical Chemistry, the student will work closely with collaborators at UCL and in Materials to establish structure–property relationships that underpin the rational design and optimisation of fibrous phosphorus for energy storage applications.

Key publications:
Magnetically and optically active edges in phosphorene nanoribbons (Nature 2025, 639, 348)
Exfoliation of Fibrous Phosphorus into Nanofibers Reaching the Size of Individual Double Tubes (ChemRxiv 2026)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Johnston group: https://www-thz.physics.ox.ac.uk

For further details please contact Mark Wilson (mark.wilson@chem.ox.ac.uk)

This project will explore the synthesis of metalloporphyrins for fabrication of solar cells via thermal vacuum sublimation. We will start by investigating electron-deficient metalloporphyrins and use these compounds to fabricate multilayer bulk heterojunction devices, by combining them with electron-rich organic semiconductors in donor/acceptor architectures. We will seek to optimise factors such as: (a) the HOMO and LUMO level alignment between donor and acceptor, (b) the lifetimes of singlet and triplet exited states, and the rate of intersystem crossing, (c) the exciton diffusion length and charge carrier mobility, (d) the molecular packing arrangement and crystallinity of the thin films, (e) performance in solar cells The goal of this project is to identify novel compounds, understand their properties and optimise corresponding solar cells to improve their power conversion efficiency and lifetime.

Useful links:
Anderson group: http://hla.chem.ox.ac.uk
Riede group: https://www.physics.ox.ac.uk/research/afmd-group

For further details please contact Harry Anderson (harry.anderson@chem.ox.ac.uk) and/or Moritz Riede (moritz.riede@physics.ox.ac.uk)

This project offers an opportunity to gain a wide skillset across synthetic and physical chemistry and photophysics. It involves the design and synthesis of organometallic and coordination complexes and their characterisation via optical and vibrational spectroscopy. Molecular materials with near-infrared (NIR) bandgaps have implications spanning traditional scientific disciplines, not limited to solar energy, sensing and imaging. However, as a consequence of “the energy gap law”, current NIR molecular materials convert a substantial portion of the energy stored in their excited states to heat, rather than useful light or electricity. The coupling of excited states to vibrations, which mediates this thermal loss process, is the key phenomenon which we must control. The outcomes of this project – the development of structural strategies to tune the vibrations in molecules completely independently of their electronic properties – will enable us to build new fundamental understanding to design and synthesise materials that beat the energy gap law.

Key publications:
A Simple Molecular Design Strategy for Delayed Fluorescence toward 1000 nm (J. Am. Chem. Soc. 2019, 141, 18390)
Understanding Effects of Alkyl Side-Chain Density on Polaron Formation Via Electrochemical Doping in Thiophene Polymers (Adv. Mat. 2023, 36, 2211184)

Useful links:
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Daniel Congrave (dan.congrave@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

This project explores all-optical memory devices based on WO₃, a photoactive oxide in which resistance states can be written and erased using light. Such contactless all-optical operation offers a route to fast, energy-efficient memory functions for advanced photonic and neuromorphic computing technologies. However, current WO₃ devices are limited by weak photocurrents, instability, and poor reproducibility, often governed by defects and interface barriers. This project targets these challenges by integrating plasmonic nanostructures to confine and enhance light at the nanoscale, boosting photocurrent and enabling faster, more reliable switching. The work combines thin film fabrication, nanofabrication, and electrical and optical characterisation to understand and control light–matter interactions in functional oxides. By linking nanoscale structure to device performance, the project aims to establish plasmonic-enhanced WO₃ as a scalable platform for optical memory technologies.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Bonilla group: https://interface.materials.ox.ac.uk/people/dr-ruy-sebastian-bonilla

For further details please contact Giuliana Di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Ternary chalcogenides are emerging as a highly promising class of materials for energy applications, including photovoltaics and thermoelectrics, where they exhibit high performance, high stability and cost-effective processing. However, the fundamental structure-performance relationships are not well understood, yet are critical for achieving further breakthroughs in device performance. Recently, we made the surprising discovery of second harmonic generation in AgBiS₂, suggesting local symmetry breaking to be present, despite its widely-assumed centrosymmetric rocksalt structure. This project combines advanced synthesis of the wider ternary chalcogenide family of materials with state-of-the-art nonlinear optical microscopy, ultrafast spectroscopy and advanced diffraction methods to understand the links between composition and local structural symmetry on charge-carrier transport. The project brings together the complementary expertise of the Hoye group in developing emerging photovoltaic semiconductors and the Di Martino group in advanced nonlinear optical characterisation of polar materials, together with collaboration with the Clarke group on advanced structural analysis. The resulting understanding will not only guide the development of more efficient photovoltaic and thermoelectric materials, but also open up the application of these ternary chalcogenides in nonlinear photonics, neuromorphic computing and non-volatile memory.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)
Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers (arXiv:2602.22024v1 [cond-mat.mtrl-sci])

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Hoye group: https://hoyegroup.site.ox.ac.uk/home

For further details please contact Giuliana di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

Transition-metal oxides are ubiquitous in technology. However, as the majority of materials are prepared at high temperature, 4d and 5d transition-metals tend to be incorporated into oxides in high oxidation states (≥ M⁴⁺). Utilizing topochemical synthesis methods (cation exchange, topochemical reduction) this project aims to prepare novel oxides containing late 4d and 5d transition-metal cations (Ru, Rh, Re, Os, Ir) in low oxidation states (M¹⁺, M²⁺, M³⁺) and then study their local electronic states via X-ray photoelectron spectroscopy. The goal is to understand how the unusual combination of factors particular to low-valent 4d and 5d transition metal cations (high electron count, strong ligand-field interaction, strong spin-orbit coupling) give rise to the local electronic configurations of the metals, and how this leads to their physical and chemical properties. The student will receive training and develop skills in both complex synthesis in the Hayward labs and advanced electronic spectroscopy in the Regoutz group.

Key publications:
Controlling the Regioselectivity of Topochemical Reduction Reactions Through Sequential Anion Insertion and Extraction (Angew. Chem. Int. Ed. 2025, 64, e202514045)
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020 (J. Phys.: Condens. Matter 2021, 33, 233001)

Useful links:
Hayward group: https://users.ox.ac.uk/~iclb0127/
Regoutz group: https://regoutzgroup.org

For further details please contact Michael Hayward (michael.hayward@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

Rechargeable Mg-ion batteries are exciting multivalent, Earth-abundant alternatives to Li-ion batteries. Divalent Mg²⁺ ions shuttle twice the charge per ion as conventional Li⁺ or Na⁺ ions offering a route to batteries with significantly higher energy density. However, the high charge density of Mg²⁺ means diffusion through transition metal oxide cathode materials with ‘hard’ O^2- anions is typically very slow. To overcome this, we propose to investigate novel transition metal oxychlorides with layers of ‘softer’ chloride ions which introduce a van der Waals gap to facilitate Mg intercalation. We will take a powerful combined experimental-machine-learning-modelling approach to understand how to maximise the diffusivity of Mg²⁺ in these cathodes, ultimately enabling us to realise the full capacity benefits of the divalent Mg²⁺ ion.

Key publications:
Mg-rich disordered rocksalt oxide cathodes for Mg-ion batteries (J. Mater. Chem. A 2024, 12, 27303)
MgFeSiO4 as a potential cathode material for magnesium batteries: ion diffusion rates and voltage trends (J. Mater. Chem. A 2017, 5, 13161)

Useful links:
House group: https://www.housegroupoxford.com
Islam group: https://saifulgroupox.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Saiful Islam (saiful.islam@materials.ox.ac.uk)

High-valent redox processes of common, earth-abundant transition metals (e.g. Fe^4+/5+) offer a route to achieve high voltage cathode materials for next generation batteries. Electrochemical de-intercalation of Li-ions is a ‘soft’ chemical approach which enables access to the study of these metastable oxidation states. This project will involve the synthesis of novel, high valent cathode materials and their study using advanced operando characterisation (i.e. during battery operation). With state-of-the-art X-ray spectroscopy tools, underpinned by spectral modelling, we aim to understand the nature and dynamics of metal-ligand covalency in cathodes where transition metals can access these rare, high valence states. This understanding will ultimately enable the design of new cathode materials for high-performance batteries.

Key publications:
Delocalized electron holes on oxygen in a battery cathode (Nature Energy 2023, 8, 351)
Distinguishing bulk redox from near-surface degradation in lithium nickel oxide cathodes (Energy Environ. Sci. 2024, 17, 8379)

Useful links:
House group: https://www.housegroupoxford.com
Weatherup group: https://emi.materials.ox.ac.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Robert Weatherup (robert.weatherup@materials.ox.ac.uk)

This project will establish the atomic-scale design principles governing advanced functional oxide thin films, providing the scientific foundation for next-generation optoelectronic devices. By linking atomic structure to device performance, it seeks to enable breakthroughs in high-efficiency solar cells and accelerate the transition to sustainable energy technologies.

Useful links:
Lozano-Perez group: https://nanoanalysis.web.ox.ac.uk/
Bonilla group: https://interface.materials.ox.ac.uk/

For further details please contact Sergio Lozano-Perez (sergio.lozano-perez@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Fusion energy demands materials that remain dependable under extreme heat and irradiation. This project explores how to manufacture tungsten-based shielding composites with stronger, more damage-tolerant interfaces. You will design low-activation compositions, compare advanced sintering routes and connect processing history to grain-and phase-boundary behaviour. Advanced electron microscopy, micromechanical testing and helium-ion irradiation will reveal where damage accumulates and how embrittlement can be reduced. The work combines hands-on manufacturing with nanoscale analysis and collaboration across academic groups. Applicants from varied scientific and technical backgrounds are warmly encouraged; training will support both specialist expertise and a broad manufacturing perspective.

Key publications:
Effect of chromium doping on the grain boundary character of WC-Co (arXiv:1407.6051v1 [cond-mat.mtrl-sci])
A unified framework for grain boundary distributions in textured materials (arXiv:2604.17997v1 [cond-mat.mtrl-sci])

Useful links:
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html
Armstrong group: https://www.materials.ox.ac.uk/peoplepages/armstrong.html
OMG Group: https://omg.web.ox.ac.uk/

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

Artificial photosynthesis offers a sustainable route to produce hydrogen using renewable electricity, but conventional photocatalysis is fundamentally limited by the solar spectrum. This project will overcome this limitation by developing an LED-driven photocatalytic platform in which the light source and photocatalyst are engineered together. The student will fabricate high-efficiency blue and UV perovskite LEDs in the Snaith group and integrate them with oxide photocatalysts in the Steier group for photocatalytic hydrogen production. By tailoring both the LED emission spectrum and photocatalyst bandgap, the project will establish design rules for maximising quantum efficiency while minimising optical losses. The work combines semiconductor materials synthesis, optoelectronic device fabrication, photocatalysis and photoreactor engineering, providing interdisciplinary training across Chemistry and Physics. Ultimately, the project aims to demonstrate a prototype LED-driven artificial photosynthesis reactor and establish a new paradigm for electrically powered photocatalysis.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Ligand-engineered bandgap stability in mixed-halide perovskite LEDs (Nature 2021, 591, 72)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Snaith group: https://www.physics.ox.ac.uk/research/group/photovoltaic-optoelectronic-device-group

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Henry Snaith (henry.snaith@physics.ox.ac.uk)

The oxygen evolution reaction is the major efficiency bottleneck in water electrolysers used for green hydrogen production. Ruthenium-based catalysts offer exceptional activity and are more abundant and lower-cost than current iridium-based catalysts, however their poor long-term stability has limited widespread adoption. This project will investigate how alloying can improve the stability of Ru-based catalysts while maintaining their high activity under application-relevant current densities. Automated synthesis of compositionally controlled nanoparticle libraries will be combined with high-throughput electrochemical screening using floating electrode methods and advanced operando optical spectroscopy. By correlating catalyst composition, electrochemical performance and the chemical state of the catalyst during operation, we aim to reveal how alloying modifies the active species and reaction pathways responsible for oxygen evolution. This mechanistic understanding will establish design principles for the rational development of next-generation electrocatalysts for sustainable hydrogen production.

Key publications:
Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies (Nature Materials 2026, 25, 799)
A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies (ChemRxiv 2026)

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or James Durrant (james.durrant@chem.ox.ac.uk)

Phosphorus nanomaterials have attracted increasing attention owing to advances in their synthesis and characterisation, together with their remarkable electronic properties. Fibrous phosphorus is a recently discovered allotrope comprising intertwined one-dimensional double tubes that stack through van der Waals interactions into three-dimensional crystals. Its distinctive structure gives rise to promising electronic and mechanical properties and has led to its proposal as a high-capacity anode material for lithium- and sodium-ion batteries. This project will combine atomistic modelling and experimental characterisation to understand the structural, electronic, and chemical properties of fibrous phosphorus. The student will use classical simulations and recently developed machine-learning interatomic potentials to investigate structure and electronic behaviour providing guidance for experimental synthesis. Based in Physical and Theoretical Chemistry, the student will work closely with collaborators at UCL and in Materials to establish structure–property relationships that underpin the rational design and optimisation of fibrous phosphorus for energy storage applications.

Key publications:
Magnetically and optically active edges in phosphorene nanoribbons (Nature 2025, 639, 348)
Exfoliation of Fibrous Phosphorus into Nanofibers Reaching the Size of Individual Double Tubes (ChemRxiv 2026)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Johnston group: https://www-thz.physics.ox.ac.uk

For further details please contact Mark Wilson (mark.wilson@chem.ox.ac.uk)

Fluorine-containing molecules play central roles in applications as diverse as lithium-ion batteries, refrigerants, agrochemicals and pharmaceuticals. We have invented several processes avoiding the production of dangerous HF for the direct synthesis of fluorochemicals from naturally occurring Fluorspar (CaF₂) or waste poly- and perfluoroalkyl species (PFAS). This project will invent new oxidative fluorination processes for the synthesis of fluorochemicals currently derived from dangerous hydrogen fluoride gas.

Key publications:
Silicate-Enabled Mechanochemical Mineralization of Polymeric and Nonpolymeric PFAS into Sodium Fluoride (J. Am. Chem. Soc. 2026, 148, 17977)
Phosphate-enabled mechanochemical PFAS destruction for fluoride reuse (Nature 2025, 640, 100)

Useful links:
Aldridge group: https://aldridge.web.ox.ac.uk/home
Gouverneur group: https://gouverneurgroup.site.ox.ac.uk/home

For further details please contact Simon Aldridge (simon.aldridge@chem.ox.ac.uk) and/or Veronique Gouverneur (veronique.gouverneur@chem.ox.ac.uk)

Reaching net-zero requires carbon capture and the decarbonisation of the chemicals industry. Both challenges can be addressed with devices that capture CO₂ from the atmosphere and photocatalytically convert it to green feedstock that can be used to produce fuels. This project focusses on on development and spectroscopic analysis of stable inorganic light harvesters that can be used for atmospheric CO₂ capture and reduction, as well as the complementary water oxidation reactions.

Key publications:
Long-term solar water and CO₂ splitting with photoelectrochemical BiOI–BiVO₄ tandems (Nat. Mat. 2022, 21, 864)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact James Durrant (james.durrant@chem.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

New opportunities in hydrogenation catalysis are opening up where the carbon support itself serves as the site of reduction for organic molecules, using electrons fed from a separate H₂ activation site. That activation site could be an enzyme, a metal complex, or a nanoparticle. Doping carbon nanotubes with nitrogen creates more reactive sites, but nanotubes remain difficult to handle in practical catalysis.
This project explores carbon fibre materials made from biomass-derived precursors as practical and reactive catalyst supports for selective hydrogenations. Unlike nanotubes, these fibres are macroscopic, easily handled, and readily separated from reaction mixtures, while offering tunable surface chemistry, controllable nitrogen doping, and high electrical conductivity. Their sustainable, low-cost origin adds further appeal.
The project will evaluate these carbon materials, in conjunction with immobilised bio- or chemo-catalysts for H₂ activation, as sustainable supports for mild, selective hydrogenation chemistry.

Key publications:
Unveiling the Mechanism of the in Situ Formation of 3D Fiber Macroassemblies with Controlled Properties (ACS Nano 2023, 17, 6800)
Selective hydrogenation of nitro compounds to amines by coupled redox reactions over a heterogeneous biocatalyst (Nat Commun 2024, 15, 7297)

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Vincent group: https://vincent.web.ox.ac.uk/

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

Transition-metal oxides are ubiquitous in technology. However, as the majority of materials are prepared at high temperature, 4d and 5d transition-metals tend to be incorporated into oxides in high oxidation states (≥ M⁴⁺). Utilizing topochemical synthesis methods (cation exchange, topochemical reduction) this project aims to prepare novel oxides containing late 4d and 5d transition-metal cations (Ru, Rh, Re, Os, Ir) in low oxidation states (M¹⁺, M²⁺, M³⁺) and then study their local electronic states via X-ray photoelectron spectroscopy. The goal is to understand how the unusual combination of factors particular to low-valent 4d and 5d transition metal cations (high electron count, strong ligand-field interaction, strong spin-orbit coupling) give rise to the local electronic configurations of the metals, and how this leads to their physical and chemical properties. The student will receive training and develop skills in both complex synthesis in the Hayward labs and advanced electronic spectroscopy in the Regoutz group.

Key publications:
Controlling the Regioselectivity of Topochemical Reduction Reactions Through Sequential Anion Insertion and Extraction (Angew. Chem. Int. Ed. 2025, 64, e202514045)
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020 (J. Phys.: Condens. Matter 2021, 33, 233001)

Useful links:
Hayward group: https://users.ox.ac.uk/~iclb0127/
Regoutz group: https://regoutzgroup.org

For further details please contact Michael Hayward (michael.hayward@chem.ox.ac.uk) and/or Anna Regoutz (anna.regoutz@chem.ox.ac.uk)

Living systems rely on sophisticated membranes that regulate the movement of water, ions and molecules with remarkable precision. Replicating these capabilities using synthetic materials could enable advances in healthcare, water purification and nanoscale technologies. This project will develop a new generation of degradable polymers that self-assemble to mimic cell-membranes, inform upon transport mechanisms and provide
miniature reaction vessels. By understanding how molecular design influences transport and compartmentalisation, the research will establish the design principles for creating functional materials that interact with biological and artificial membranes. The polymers will be prepared using controlled and metal catalysed processes, enabling unprecedented control over sequence, chain length, architecture and tacticity: all features which are currently hard to control and yet likely to play fundamental roles in molecular transport mechanisms. Interdisciplinary training includes catalysis, polymer synthesis, materials characterisation, supramolecular chemistry and membrane science, and advanced fluorescence techniques to investigate membrane interactions, transport and catalytic processes.

Key publications:
Controlled Polymerization Catalysis for the Synthesis of Degradable Amphiphilic Polycarbonates from CO₂ (J. Am. Chem. Soc. 2026, 148, 7426)
Near-Infrared Triggered Anion Transport Induces Cancer Cell Death (Angew. Chem. Int. Ed. 2026, 65, e23734)

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk ) and/or Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

Water splitting is central to a green hydrogen economy, and nickel phosphides are standout catalysts because they deliver platinum-like hydrogen evolution activity while using abundant, low-cost sustainable elements. Despite the promise of nickel phosphides for hydrogen evolution, the fundamental mechanisms underlying their catalytic activity remains poorly understood. This project will address this challenge by synthesising atomically precise nickel phosphide clusters as molecular models of bulk materials, enabling mechanistic insight into active-site structure and reactivity, while extending these studies to multimetallic systems that mimic ternary phosphides and developing new precursor platforms for next-
generation catalyst synthesis. This project will provide training in a broad range of cutting-edge techniques, including in synthetic and air-sensitive chemistry, homogeneous and heterogeneous chemistry, spectroscopic characterisation and X-ray crystallography (including at international facilities), magnetometry, computational chemistry, mechanistic elucidation, and catalytic evaluation.

Key publications:
Catalytic Nitrous Oxide Degradation with Group 15 Clusters (J. Am. Chem. Soc. 2025, 147, 30317)
Sr₂MnO₂Na_1.6Se₂: A Metamagnetic Layered Oxychalcogenide Synthesized by Reductive Na Intercalation to Break [Se₂]^2-Perselenide Dimer Units (Chem. Mater. 2024, 36, 5730)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Clarke grouop: https://clarkegroup.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Simon Clarke (simon.clarke@chem.ox.ac.uk)

This project is focused on the development of sustainable organoiron complexes and iron-catalysed reactions for modern chemical synthesis. The project aims to push the boundaries of organoiron chemistry from the historical focus on lower valent complexes supported by p-acceptor ligands to high-valent organoiron chemistry (for example, Fe(IV) and beyond). The project will involve synthetic organometallic chemistry, structural and
spectroscopic characterisation of organoiron complexes, and investigation of their applications in both stoichiometric reactions and catalysis for synthetic transformations including C-C and C-N couplings. Further studies will focus on high-valent iron-carbenes for cyclopropanation and olefin metathesis which remains a significant challenge in the field of small molecule catalysis. The results of this project will contribute to the sustainable
introduction of molecular complexity in chemical transformations central to the production of pharmaceuticals and fine chemicals.

Key publications:
Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C–H activation (Chem. Sci. 2026, 17, 7002)

Useful links:
Neidig group: https://theneidiglab.web.ox.ac.uk/
Donohoe group: https://tjdonohoe.web.ox.ac.uk

For further details please contact Michael Neidig (michael.neidig@chem.ox.ac.uk)

This project develops new methods to produce sustainable methanol from atmospheric CO₂ using gas-phase photocatalysis. Decarbonising the chemical industry, responsible for 5–7% of global greenhouse gas emissions, is essential for achieving net zero. Large-volume chemicals such as methanol, ethylene, and ammonia account for around 75% of these emissions. Gas-phase photocatalytic methanol synthesis from CO₂ and H₂ is particularly attractive because the reaction is thermodynamically favourable at low temperatures and moderate pressures. However, progress requires both improved catalyst design and highly sensitive methods to quantify the low product concentrations initially formed. In this project, the student will develop a real-time methanol sensor based on diode laser cavity-enhanced spectroscopy in the Ritchie group and integrate it with state-of-the-art gas chromatography–coupled photocatalysis systems in the Steier group. This will enable fundamental studies of how catalyst surface chemistry and defects govern methanol production, guiding the design of more efficient photocatalysts.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Determining Water Transport Kinetics in Limestone by Dual-Wavelength Cavity Ring-Down Spectroscopy (Anal. Chem. 2022, 94, 3126)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Ritchie group: https://www.chem.ox.ac.uk/people/grant-ritchie

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

Artificial photosynthesis offers a sustainable route to produce hydrogen using renewable electricity, but conventional photocatalysis is fundamentally limited by the solar spectrum. This project will overcome this limitation by developing an LED-driven photocatalytic platform in which the light source and photocatalyst are engineered together. The student will fabricate high-efficiency blue and UV perovskite LEDs in the Snaith group and integrate them with oxide photocatalysts in the Steier group for photocatalytic hydrogen production. By tailoring both the LED emission spectrum and photocatalyst bandgap, the project will establish design rules for maximising quantum efficiency while minimising optical losses. The work combines semiconductor materials synthesis, optoelectronic device fabrication, photocatalysis and photoreactor engineering, providing interdisciplinary training across Chemistry and Physics. Ultimately, the project aims to demonstrate a prototype LED-driven artificial photosynthesis reactor and establish a new paradigm for electrically powered photocatalysis.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Ligand-engineered bandgap stability in mixed-halide perovskite LEDs (Nature 2021, 591, 72)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Snaith group: https://www.physics.ox.ac.uk/research/group/photovoltaic-optoelectronic-device-group

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Henry Snaith (henry.snaith@physics.ox.ac.uk)

Highly controlled polymerization catalysts using renewable resources will be developed to make polymers featuring regular sites for metal or ion coordination both to improve properties and deliver built-in recycling catalysts. Coordination chemistry, with earth abundant metals, will be used to both re-enforce material structures delivering high-performance elastomers and ionomers. Electrical triggers will be explored for material shape and property changes. At end-life, materials are designed to deliver catalysed closed loop material recycling with minimal energy input and maximised efficiency.

Key publications:
The Science of Polymer Chemical Recycling Catalysis: Uncovering Kinetic and Thermodynamic Linear Free Energy Relationships (J. Am. Chem. Soc. 2025, 147, 22734)
Function Meets Circularity: Metal–Ionomer Cross-Links Toughen and Recycle CO2‑Derived Polymers (Macromolecules 2026, 59, 3649)

Useful links:
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home
McCulloch group: https://mcculloch.web.ox.ac.uk

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

This project offers an opportunity to gain a wide skillset across synthetic and physical chemistry and photophysics. It involves the design and synthesis of organometallic and coordination complexes and their characterisation via optical and vibrational spectroscopy. Molecular materials with near-infrared (NIR) bandgaps have implications spanning traditional scientific disciplines, not limited to solar energy, sensing and imaging. However, as a consequence of “the energy gap law”, current NIR molecular materials convert a substantial portion of the energy stored in their excited states to heat, rather than useful light or electricity. The coupling of excited states to vibrations, which mediates this thermal loss process, is the key phenomenon which we must control. The outcomes of this project – the development of structural strategies to tune the vibrations in molecules completely independently of their electronic properties – will enable us to build new fundamental understanding to design and synthesise materials that beat the energy gap law.

Key publications:
A Simple Molecular Design Strategy for Delayed Fluorescence toward 1000 nm (J. Am. Chem. Soc. 2019, 141, 18390)
Understanding Effects of Alkyl Side-Chain Density on Polaron Formation Via Electrochemical Doping in Thiophene Polymers (Adv. Mat. 2023, 36, 2211184)

Useful links:
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Daniel Congrave (dan.congrave@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Sufficiently conductive two-dimensional films have a capacitative fingerprint that is highly responsive to the dielectric changes associated with any molecular recognition event that occurs at their surface. Two-dimensional transition metal-organic frameworks (2D MOFs), including those that are redox responsive, have potential powerful applications in energy storage and diagnostics if they can be suitably receptor modified. This project will investigate the generation of electrochemically addressable transition metal MOF films, their capacitative charging, and the peripheral modification of these with biological receptors such that clinically-relevant biological targets can be detected.

Key publications:
Chemiresistive Polymer Percolation Network Gas Sensor Created with a Nanosphere Template (Adv. Mater. Interfaces 2023, 2202042)
Conductive metal-organic framework synthesis from metal nanoparticle precursors (Journal of Physics: Materials 2025, 8, 025004)

Useful links:
Davis group: http://jjdgroup.co.uk
Castell group: https://users.ox.ac.uk/~mrc/

For further details please contact Jason Davis (Jason.davis@chem.ox.ac.uk) and/or Martin Castell (martin.castell@materials.ox.ac.uk)

Ternary chalcogenides are emerging as a highly promising class of materials for energy applications, including photovoltaics and thermoelectrics, where they exhibit high performance, high stability and cost-effective processing. However, the fundamental structure-performance relationships are not well understood, yet are critical for achieving further breakthroughs in device performance. Recently, we made the surprising discovery of second harmonic generation in AgBiS₂, suggesting local symmetry breaking to be present, despite its widely-assumed centrosymmetric rocksalt structure. This project combines advanced synthesis of the wider ternary chalcogenide family of materials with state-of-the-art nonlinear optical microscopy, ultrafast spectroscopy and advanced diffraction methods to understand the links between composition and local structural symmetry on charge-carrier transport. The project brings together the complementary expertise of the Hoye group in developing emerging photovoltaic semiconductors and the Di Martino group in advanced nonlinear optical characterisation of polar materials, together with collaboration with the Clarke group on advanced structural analysis. The resulting understanding will not only guide the development of more efficient photovoltaic and thermoelectric materials, but also open up the application of these ternary chalcogenides in nonlinear photonics, neuromorphic computing and non-volatile memory.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)
Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers (arXiv:2602.22024v1 [cond-mat.mtrl-sci])

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Hoye group: https://hoyegroup.site.ox.ac.uk/home

For further details please contact Giuliana di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

his project will explore the development of lanthanide complexes as building blocks that can be incorporated onto solid and polymer supports and used to sense volatile chiral molecules and biomarkers. It will involve a mix of synthetic chemistry, spectroscopy and data analysis. The key goal of the project is to demonstrate and refine the concept of sensing chiral molecules with fluxional, but kinetically stable, lanthanide complexes through circular polarised luminescence spectroscopy and cavity ringdown polarimetry.

Key publications:
Speciation and Luminescence of a Binuclear Lanthanide Complex Bearing an Aminophenolate Chromophore (Chem. Eur. J. 2025, 31, e02305)
Continuous-wave cavity ringdown for high-sensitivity polarimetry and magnetometry measurements (J. Chem. Phys. 2024, 160, 054201)

Useful links:
Faulkner group: http://faulkner.chem.ox.ac.uk
Vincent group: https://ritchie.chem.ox.ac.uk/home

For further details please contact Steve Faulkner (Stephen.faulkner@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

This project will develop new solid-state ionic materials for controlled electrochemical doping in neuromorphic electronics. Organic synaptic transistors are promising low-power devices, but most still rely on liquid electrolytes or liquid-like ion-gels, which limit miniaturisation, stability and circuit integration. We will address this by synthesising new solid-state ionic liquids (SSILs) and incorporating them into all-solid-state organic semiconductor architectures, including OSC blends and ion-gel/OSC bilayers. Using our recently developed state-independent ionic matrices (McGonigal et al. Science 2025), we will investigate inorganic cations for controlled n-type doping and selected inorganic anions for p-type doping, while determining how ion properties such as size and charge density influence device performance. By combining the McGonigal group’s expertise in solid-state ionic materials with the Kim group’s expertise in mixed conductors, operando spectroscopy and synaptic transistors, the project will establish design rules linking SSIL structure, ion–semiconductor interactions and neuromorphic device function.

Key publications:
State-Independent Ionic Conductivity (Science 2025, 390, 1254)
Polarons in DPP Polymers – How Glycol Side Chains and Elongated Conjugated Backbone Influence the Formation and Transport (Advanced Electronic Materials 2026, 12, e00731)

Useful links:
McGonigal group: https://www.mcgonigalgroup.com/
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Paul McGonigal (paul.mcgonigal@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Under ultrahigh pressures (10–200 GPa), metal nitride materials stabilise long-chain nitrogen species ([N_n], n>3) that are predicted to possess unusual bonding and electronic structures. However, the strong thermodynamic driving force to eliminate N₂
renders these nitrogen structures highly reactive under ambient conditions. Their capture under ambient conditions is necessary to enable a comprehensive understanding of their electronic structure and reactivity. One strategy to stabilise these elusive materials is to capture them in macrocycles, where supramolecular interactions can have a minimal/controlled perturbation on their electronic structures. In this proposal, we will capture long chains of nitrogen in macrocycles, study their photochemical and redox properties, and explore their reversible stimuli-responsive geometric and electronic switching. This project will provide training in a broad range of cutting-edge techniques, including multi-step chemical synthesis and air-sensitive methods, spectroscopic characterisation, X-ray crystallography, computational chemistry, and supramolecular chemistry techniques.

Key publications:
Crystalline nitrogen chain radical anions (Nat. Chem. 2026, 18, 686)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Langton group: https://langtonrg.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Matthew Langton (matthew.langton@chem.ox.ac.uk)

Magnetic resonance imaging (MRI) is one of the most widely used clinical diagnostic tools and often relies on contrast agents to enhance image quality. Current clinical agents are based on gadolinium (Gd), but concerns about its long-term accumulation and toxicity have driven the search for safer alternatives. This PhD project will develop a new generation of iron-based MRI contrast agents using innovative protein-inspired molecular scaffolds known as coiled coils. These scaffolds have already shown promise in improving the efficiency of MRI contrast agents, potentially allowing lower doses to be used. The project will investigate how coiled-coil ligands bind iron and how these complexes can be optimised for MRI applications. The successful candidate will gain interdisciplinary training in computational protein design, molecular synthesis, spectroscopic characterisation, and magnetic resonance methods, working across the Peacock and Neidig laboratories to develop safer and more effective
imaging agents.

Key publications:
Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents (J. Am. Chem. Soc. 2025, 147, 42583)
Design of the elusive proteinaceous oxygen donor copper site suggests a promising future for copper for MRI contrast agents (PNAS 2023, 120, e2219036120)

Useful links:
Peacock group: https://peacockresearch.wordpress.com/
Neidig group: https://theneidiglab.web.ox.ac.uk/

For further details please contact Anna Peacock (a.f.a.peacock@bham.ac.uk) and/or Michael Neidig (michael.neidig@chem.ox.ac.uk)

This project develops new methods to produce sustainable methanol from atmospheric CO₂ using gas-phase photocatalysis. Decarbonising the chemical industry, responsible for 5–7% of global greenhouse gas emissions, is essential for achieving net zero. Large-volume chemicals such as methanol, ethylene, and ammonia account for around 75% of these emissions. Gas-phase photocatalytic methanol synthesis from CO₂ and H₂ is particularly attractive because the reaction is thermodynamically favourable at low temperatures and moderate pressures. However, progress requires both improved catalyst design and highly sensitive methods to quantify the low product concentrations initially formed. In this project, the student will develop a real-time methanol sensor based on diode laser cavity-enhanced spectroscopy in the Ritchie group and integrate it with state-of-the-art gas chromatography–coupled photocatalysis systems in the Steier group. This will enable fundamental studies of how catalyst surface chemistry and defects govern methanol production, guiding the design of more efficient photocatalysts.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Determining Water Transport Kinetics in Limestone by Dual-Wavelength Cavity Ring-Down Spectroscopy (Anal. Chem. 2022, 94, 3126)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Ritchie group: https://www.chem.ox.ac.uk/people/grant-ritchie

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

There is a global effort to identify solid-state materials where single electronic and nuclear spins can be controlled optically, as these systems form the basis of emerging quantum technologies. Molecules present an exciting platform due to their rich photophysics, well-defined structures and synthetic tunability. Recent work has shown that conjugated molecules have electronic spins that can be optically coherently controlled at room temperature, even when immobilised on surfaces of 2D materials. Combined, these are the necessary ingredients for next-generation quantum sensors with atomic-scale proximity to target spins. However, to date there has been limited optimisation of the molecular qubit and its coupling to the 2D surface. In this project, we will combine aspects of molecular photophysics, optically detected magnetic resonance, 2D materials, defect physics, and chemical synthesis to train the candidate in the unique and timely skillset necessary to identify and develop hybrid molecular/2D platforms for quantum sensing.

Key publications:
Follow links below for recent papers from the two groups.

Useful links:
Stern group: https://www.sternlab.co.uk/
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave

For further details please contact Hannah Stern (hannah.stern@materials.ox.ac.uk) and/or Daniel Congrave (dan.congrave@chem.ox.ac.uk)

Quantum sensors are opening up exciting new ways to study the world at the smallest scales. This project explores whether fluorescent defects in hexagonal boron nitride can be used to detect the magnetic signals produced by living cells. Because hBN is atomically thin, it can bring the sensor extremely close to biological activity, making it a promising platform for high-resolution, label-free measurements. The project will focus on improving the material’s biocompatibility and testing it in optogenetically modified neurons. By combining quantum materials, surface chemistry and neuroscience, this research could help create a new kind of tool for studying brain cells and other dynamic biological systems.

Key publications:
How quantum biosensing is transforming healthcare (Nature Reviews Physics 2025, 7, 672)
Quantum sensors for biomedical applications (Nature Reviews Physics 2023, 5, 157)

Useful links:
Stevens group: https://www.stevensgroup.org
Stern group: https://www.sternlab.co.uk/

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.ox.ac.uk)

Fluorine-containing molecules play central roles in applications as diverse as lithium-ion batteries, refrigerants, agrochemicals and pharmaceuticals. We have invented several processes avoiding the production of dangerous HF for the direct synthesis of fluorochemicals from naturally occurring Fluorspar (CaF₂) or waste poly- and perfluoroalkyl species (PFAS). This project will invent new oxidative fluorination processes for the synthesis of fluorochemicals currently derived from dangerous hydrogen fluoride gas.

Key publications:
Silicate-Enabled Mechanochemical Mineralization of Polymeric and Nonpolymeric PFAS into Sodium Fluoride (J. Am. Chem. Soc. 2026, 148, 17977)
Phosphate-enabled mechanochemical PFAS destruction for fluoride reuse (Nature 2025, 640, 100)

Useful links:
Aldridge group: https://aldridge.web.ox.ac.uk/home
Gouverneur group: https://gouverneurgroup.site.ox.ac.uk/home

For further details please contact Simon Aldridge (simon.aldridge@chem.ox.ac.uk) and/or Veronique Gouverneur (veronique.gouverneur@chem.ox.ac.uk)

This project will explore the synthesis of metalloporphyrins for fabrication of solar cells via thermal vacuum sublimation. We will start by investigating electron-deficient metalloporphyrins and use these compounds to fabricate multilayer bulk heterojunction devices, by combining them with electron-rich organic semiconductors in donor/acceptor architectures. We will seek to optimise factors such as: (a) the HOMO and LUMO level alignment between donor and acceptor, (b) the lifetimes of singlet and triplet exited states, and the rate of intersystem crossing, (c) the exciton diffusion length and charge carrier mobility, (d) the molecular packing arrangement and crystallinity of the thin films, (e) performance in solar cells The goal of this project is to identify novel compounds, understand their properties and optimise corresponding solar cells to improve their power conversion efficiency and lifetime.

Useful links:
Anderson group: http://hla.chem.ox.ac.uk
Riede group: https://www.physics.ox.ac.uk/research/afmd-group

For further details please contact Harry Anderson (harry.anderson@chem.ox.ac.uk) and/or Moritz Riede (moritz.riede@physics.ox.ac.uk)

Altermagnets are a rapidly emerging special class of magnetic material with potential applications in spintronics. They are antiferromagnets, so, unlike ferromagnets, they are not influenced by stray magnetic fields and this can enable, for example, magnetic data storage at high densities with high fidelity. Particular symmetry properties of the crystal and magnetic structures of altermagnets are required to enable them to perform the functions required of high-density spintronic devices. This project will identify new candidate altermagnets amongst transition metal oxides, sulfides and phosphides and related mixed- anion materials, and control their compositions (e.g. to introduce transition metal mixed-valence, and the strengths of magnetic interactions) to optimise their magnetic ordering and electronic conductivity. This project will build on promising preliminary results from the project supervisory team. The student will become expert in solid-state synthesis using high-and low-temperature techniques, crystallography and cutting-edge X-ray, neutron and muon spectroscopies at International Facilities.

Key publications:
Structures and Magnetic Ordering in Layered Cr Oxide Arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs (Inorg. Chem. 2022, 61, 12373)
X-ray magnetic circular dichroism evidence of intrinsic d-wave altermagnetism in rutile-structure NiF₂ (arXiv:2603.03694 [cond-mat.str-el])

Useful links:
Clarke group: https://clarkegroup.web.ox.ac.uk

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk) and/or Andrew Boothroyd (andrew.boothroyd@physics.ox.ac.uk)

Silicate ceramics are technologically important materials, with practical applications ranging from dielectrics, refractories, and environmental barrier coatings to piezoelectrics. Yet, ceramic materials typically contain grain boundaries, and understanding the nature of those remains difficult. This project will develop a computational framework that moves beyond a few idealised interfaces and instead studies thousands of grain boundaries, including distinct complexion states. Machine-learning-based interatomic potential (MLIP) models will provide atomic-resolution descriptions of complex grain boundaries, and these simulations will be closely linked to experimental data on complexion transitions. The project will therefore build new computational capabilities to link atomistic grain-boundary structure, complexion populations, and mesoscale microstructure evolution in ceramics. It is suited to a student interested in machine learning, atomistic simulation, and microstructure modelling.

Key publications:
Reversible grain boundary complexion transition explains cratonic lithosphere anomalies (arXiv:2504.19784v2 [physics.geo-ph])
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS₃ (J. Mater. Chem. A 2025, 13, 35447)

Useful links:
Deringer group: https://deringer.chem.ox.ac.uk
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html

For further details please contact Volker Deringer (volker.deringer@chem.ox.ac.uk) and/or Tinka Marquardt (katharina.marquardt@materials.ox.ac.uk)

This project explores all-optical memory devices based on WO₃, a photoactive oxide in which resistance states can be written and erased using light. Such contactless all-optical operation offers a route to fast, energy-efficient memory functions for advanced photonic and neuromorphic computing technologies. However, current WO₃ devices are limited by weak photocurrents, instability, and poor reproducibility, often governed by defects and interface barriers. This project targets these challenges by integrating plasmonic nanostructures to confine and enhance light at the nanoscale, boosting photocurrent and enabling faster, more reliable switching. The work combines thin film fabrication, nanofabrication, and electrical and optical characterisation to understand and control light–matter interactions in functional oxides. By linking nanoscale structure to device performance, the project aims to establish plasmonic-enhanced WO₃ as a scalable platform for optical memory technologies.

Key publications:
Real-time in situ optical tracking of oxygen vacancy migration in memristors (Nat Electronics 2020, 3, 687)

Useful links:
Di Martino group: https://www.materials.ox.ac.uk/peoplepages/dimartino.html
Bonilla group: https://interface.materials.ox.ac.uk/people/dr-ruy-sebastian-bonilla

For further details please contact Giuliana Di Martino (giuliana.dimartino@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Reaching net-zero requires carbon capture and the decarbonisation of the chemicals industry. Both challenges can be addressed with devices that capture CO₂ from the atmosphere and photocatalytically convert it to green feedstock that can be used to produce fuels. This project focusses on on development and spectroscopic analysis of stable inorganic light harvesters that can be used for atmospheric CO₂ capture and reduction, as well as the complementary water oxidation reactions.

Key publications:
Long-term solar water and CO₂ splitting with photoelectrochemical BiOI–BiVO₄ tandems (Nat. Mat. 2022, 21, 864)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact James Durrant (james.durrant@chem.ox.ac.uk) and/or Robert Hoye (robert.hoye@chem.ox.ac.uk)

New opportunities in hydrogenation catalysis are opening up where the carbon support itself serves as the site of reduction for organic molecules, using electrons fed from a separate H₂ activation site. That activation site could be an enzyme, a metal complex, or a nanoparticle. Doping carbon nanotubes with nitrogen creates more reactive sites, but nanotubes remain difficult to handle in practical catalysis.
This project explores carbon fibre materials made from biomass-derived precursors as practical and reactive catalyst supports for selective hydrogenations. Unlike nanotubes, these fibres are macroscopic, easily handled, and readily separated from reaction mixtures, while offering tunable surface chemistry, controllable nitrogen doping, and high electrical conductivity. Their sustainable, low-cost origin adds further appeal.
The project will evaluate these carbon materials, in conjunction with immobilised bio- or chemo-catalysts for H₂ activation, as sustainable supports for mild, selective hydrogenation chemistry.

Key publications:
Unveiling the Mechanism of the in Situ Formation of 3D Fiber Macroassemblies with Controlled Properties (ACS Nano 2023, 17, 6800)
Selective hydrogenation of nitro compounds to amines by coupled redox reactions over a heterogeneous biocatalyst (Nat Commun 2024, 15, 7297)

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Vincent group: https://vincent.web.ox.ac.uk/

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

Rechargeable Mg-ion batteries are exciting multivalent, Earth-abundant alternatives to Li-ion batteries. Divalent Mg²⁺ ions shuttle twice the charge per ion as conventional Li⁺ or Na⁺ ions offering a route to batteries with significantly higher energy density. However, the high charge density of Mg²⁺ means diffusion through transition metal oxide cathode materials with ‘hard’ O^2- anions is typically very slow. To overcome this, we propose to investigate novel transition metal oxychlorides with layers of ‘softer’ chloride ions which introduce a van der Waals gap to facilitate Mg intercalation. We will take a powerful combined experimental-machine-learning-modelling approach to understand how to maximise the diffusivity of Mg²⁺ in these cathodes, ultimately enabling us to realise the full capacity benefits of the divalent Mg²⁺ ion.

Key publications:
Mg-rich disordered rocksalt oxide cathodes for Mg-ion batteries (J. Mater. Chem. A 2024, 12, 27303)
MgFeSiO4 as a potential cathode material for magnesium batteries: ion diffusion rates and voltage trends (J. Mater. Chem. A 2017, 5, 13161)

Useful links:
House group: https://www.housegroupoxford.com
Islam group: https://saifulgroupox.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Saiful Islam (saiful.islam@materials.ox.ac.uk)

High-valent redox processes of common, earth-abundant transition metals (e.g. Fe^4+/5+) offer a route to achieve high voltage cathode materials for next generation batteries. Electrochemical de-intercalation of Li-ions is a ‘soft’ chemical approach which enables access to the study of these metastable oxidation states. This project will involve the synthesis of novel, high valent cathode materials and their study using advanced operando characterisation (i.e. during battery operation). With state-of-the-art X-ray spectroscopy tools, underpinned by spectral modelling, we aim to understand the nature and dynamics of metal-ligand covalency in cathodes where transition metals can access these rare, high valence states. This understanding will ultimately enable the design of new cathode materials for high-performance batteries.

Key publications:
Delocalized electron holes on oxygen in a battery cathode (Nature Energy 2023, 8, 351)
Distinguishing bulk redox from near-surface degradation in lithium nickel oxide cathodes (Energy Environ. Sci. 2024, 17, 8379)

Useful links:
House group: https://www.housegroupoxford.com
Weatherup group: https://emi.materials.ox.ac.uk/

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Robert Weatherup (robert.weatherup@materials.ox.ac.uk)

This project will establish the atomic-scale design principles governing advanced functional oxide thin films, providing the scientific foundation for next-generation optoelectronic devices. By linking atomic structure to device performance, it seeks to enable breakthroughs in high-efficiency solar cells and accelerate the transition to sustainable energy technologies.

Useful links:
Lozano-Perez group: https://nanoanalysis.web.ox.ac.uk/
Bonilla group: https://interface.materials.ox.ac.uk/

For further details please contact Sergio Lozano-Perez (sergio.lozano-perez@materials.ox.ac.uk) and/or Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Fusion energy demands materials that remain dependable under extreme heat and irradiation. This project explores how to manufacture tungsten-based shielding composites with stronger, more damage-tolerant interfaces. You will design low-activation compositions, compare advanced sintering routes and connect processing history to grain-and phase-boundary behaviour. Advanced electron microscopy, micromechanical testing and helium-ion irradiation will reveal where damage accumulates and how embrittlement can be reduced. The work combines hands-on manufacturing with nanoscale analysis and collaboration across academic groups. Applicants from varied scientific and technical backgrounds are warmly encouraged; training will support both specialist expertise and a broad manufacturing perspective.

Key publications:
Effect of chromium doping on the grain boundary character of WC-Co (arXiv:1407.6051v1 [cond-mat.mtrl-sci])
A unified framework for grain boundary distributions in textured materials (arXiv:2604.17997v1 [cond-mat.mtrl-sci])

Useful links:
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html
Armstrong group: https://www.materials.ox.ac.uk/peoplepages/armstrong.html
OMG Group: https://omg.web.ox.ac.uk/

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

This project will develop new solid-state ionic materials for controlled electrochemical doping in neuromorphic electronics. Organic synaptic transistors are promising low-power devices, but most still rely on liquid electrolytes or liquid-like ion-gels, which limit miniaturisation, stability and circuit integration. We will address this by synthesising new solid-state ionic liquids (SSILs) and incorporating them into all-solid-state organic semiconductor architectures, including OSC blends and ion-gel/OSC bilayers. Using our recently developed state-independent ionic matrices (McGonigal et al. Science 2025), we will investigate inorganic cations for controlled n-type doping and selected inorganic anions for p-type doping, while determining how ion properties such as size and charge density influence device performance. By combining the McGonigal group’s expertise in solid-state ionic materials with the Kim group’s expertise in mixed conductors, operando spectroscopy and synaptic transistors, the project will establish design rules linking SSIL structure, ion–semiconductor interactions and neuromorphic device function.

Key publications:
State-Independent Ionic Conductivity (Science 2025, 390, 1254)
Polarons in DPP Polymers – How Glycol Side Chains and Elongated Conjugated Backbone Influence the Formation and Transport (Advanced Electronic Materials 2026, 12, e00731)

Useful links:
McGonigal group: https://www.mcgonigalgroup.com/
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Paul McGonigal (paul.mcgonigal@chem.ox.ac.uk) and/or Ji-Seon Kim (ji-seon.kim@chem.ox.ac.uk)

Water splitting is central to a green hydrogen economy, and nickel phosphides are standout catalysts because they deliver platinum-like hydrogen evolution activity while using abundant, low-cost sustainable elements. Despite the promise of nickel phosphides for hydrogen evolution, the fundamental mechanisms underlying their catalytic activity remains poorly understood. This project will address this challenge by synthesising atomically precise nickel phosphide clusters as molecular models of bulk materials, enabling mechanistic insight into active-site structure and reactivity, while extending these studies to multimetallic systems that mimic ternary phosphides and developing new precursor platforms for next-
generation catalyst synthesis. This project will provide training in a broad range of cutting-edge techniques, including in synthetic and air-sensitive chemistry, homogeneous and heterogeneous chemistry, spectroscopic characterisation and X-ray crystallography (including at international facilities), magnetometry, computational chemistry, mechanistic elucidation, and catalytic evaluation.

Key publications:
Catalytic Nitrous Oxide Degradation with Group 15 Clusters (J. Am. Chem. Soc. 2025, 147, 30317)
Sr₂MnO₂Na_1.6Se₂: A Metamagnetic Layered Oxychalcogenide Synthesized by Reductive Na Intercalation to Break [Se₂]^2-Perselenide Dimer Units (Chem. Mater. 2024, 36, 5730)

Useful links:
Mehta group: https://www.mehtalab.co.uk/
Clarke grouop: https://clarkegroup.web.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Simon Clarke (simon.clarke@chem.ox.ac.uk)

This project is focused on the development of sustainable organoiron complexes and iron-catalysed reactions for modern chemical synthesis. The project aims to push the boundaries of organoiron chemistry from the historical focus on lower valent complexes supported by p-acceptor ligands to high-valent organoiron chemistry (for example, Fe(IV) and beyond). The project will involve synthetic organometallic chemistry, structural and
spectroscopic characterisation of organoiron complexes, and investigation of their applications in both stoichiometric reactions and catalysis for synthetic transformations including C-C and C-N couplings. Further studies will focus on high-valent iron-carbenes for cyclopropanation and olefin metathesis which remains a significant challenge in the field of small molecule catalysis. The results of this project will contribute to the sustainable
introduction of molecular complexity in chemical transformations central to the production of pharmaceuticals and fine chemicals.

Key publications:
Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C–H activation (Chem. Sci. 2026, 17, 7002)

Useful links:
Neidig group: https://theneidiglab.web.ox.ac.uk/
Donohoe group: https://tjdonohoe.web.ox.ac.uk

For further details please contact Michael Neidig (michael.neidig@chem.ox.ac.uk)

This project develops new methods to produce sustainable methanol from atmospheric CO₂ using gas-phase photocatalysis. Decarbonising the chemical industry, responsible for 5–7% of global greenhouse gas emissions, is essential for achieving net zero. Large-volume chemicals such as methanol, ethylene, and ammonia account for around 75% of these emissions. Gas-phase photocatalytic methanol synthesis from CO₂ and H₂ is particularly attractive because the reaction is thermodynamically favourable at low temperatures and moderate pressures. However, progress requires both improved catalyst design and highly sensitive methods to quantify the low product concentrations initially formed. In this project, the student will develop a real-time methanol sensor based on diode laser cavity-enhanced spectroscopy in the Ritchie group and integrate it with state-of-the-art gas chromatography–coupled photocatalysis systems in the Steier group. This will enable fundamental studies of how catalyst surface chemistry and defects govern methanol production, guiding the design of more efficient photocatalysts.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Determining Water Transport Kinetics in Limestone by Dual-Wavelength Cavity Ring-Down Spectroscopy (Anal. Chem. 2022, 94, 3126)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Ritchie group: https://www.chem.ox.ac.uk/people/grant-ritchie

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Grant Ritchie (grant.ritchie@chem.ox.ac.uk)

Artificial photosynthesis offers a sustainable route to produce hydrogen using renewable electricity, but conventional photocatalysis is fundamentally limited by the solar spectrum. This project will overcome this limitation by developing an LED-driven photocatalytic platform in which the light source and photocatalyst are engineered together. The student will fabricate high-efficiency blue and UV perovskite LEDs in the Snaith group and integrate them with oxide photocatalysts in the Steier group for photocatalytic hydrogen production. By tailoring both the LED emission spectrum and photocatalyst bandgap, the project will establish design rules for maximising quantum efficiency while minimising optical losses. The work combines semiconductor materials synthesis, optoelectronic device fabrication, photocatalysis and photoreactor engineering, providing interdisciplinary training across Chemistry and Physics. Ultimately, the project aims to demonstrate a prototype LED-driven artificial photosynthesis reactor and establish a new paradigm for electrically powered photocatalysis.

Key publications:
Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates (Advanced Functional Materials 2026, 36, e11923)
Ligand-engineered bandgap stability in mixed-halide perovskite LEDs (Nature 2021, 591, 72)

Useful links:
Steier group: https://steiergroup.web.ox.ac.uk
Snaith group: https://www.physics.ox.ac.uk/research/group/photovoltaic-optoelectronic-device-group

For further details please contact Ludmila Steier (ludmilla.steier@chem.ox.ac.uk) and/or Henry Snaith (henry.snaith@physics.ox.ac.uk)

The oxygen evolution reaction is the major efficiency bottleneck in water electrolysers used for green hydrogen production. Ruthenium-based catalysts offer exceptional activity and are more abundant and lower-cost than current iridium-based catalysts, however their poor long-term stability has limited widespread adoption. This project will investigate how alloying can improve the stability of Ru-based catalysts while maintaining their high activity under application-relevant current densities. Automated synthesis of compositionally controlled nanoparticle libraries will be combined with high-throughput electrochemical screening using floating electrode methods and advanced operando optical spectroscopy. By correlating catalyst composition, electrochemical performance and the chemical state of the catalyst during operation, we aim to reveal how alloying modifies the active species and reaction pathways responsible for oxygen evolution. This mechanistic understanding will establish design principles for the rational development of next-generation electrocatalysts for sustainable hydrogen production.

Key publications:
Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies (Nature Materials 2026, 25, 799)
A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies (ChemRxiv 2026)

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Durrant group: https://www.chem.ox.ac.uk/people/james-durrant

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or James Durrant (james.durrant@chem.ox.ac.uk)

Highly controlled polymerization catalysts using renewable resources will be developed to make polymers featuring regular sites for metal or ion coordination both to improve properties and deliver built-in recycling catalysts. Coordination chemistry, with earth abundant metals, will be used to both re-enforce material structures delivering high-performance elastomers and ionomers. Electrical triggers will be explored for material shape and property changes. At end-life, materials are designed to deliver catalysed closed loop material recycling with minimal energy input and maximised efficiency.

Key publications:
The Science of Polymer Chemical Recycling Catalysis: Uncovering Kinetic and Thermodynamic Linear Free Energy Relationships (J. Am. Chem. Soc. 2025, 147, 22734)
Function Meets Circularity: Metal–Ionomer Cross-Links Toughen and Recycle CO2‑Derived Polymers (Macromolecules 2026, 59, 3649)

Useful links:
Williams group: https://cwilliamsresearch.web.ox.ac.uk/home
McCulloch group: https://mcculloch.web.ox.ac.uk

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

Phosphorus nanomaterials have attracted increasing attention owing to advances in their synthesis and characterisation, together with their remarkable electronic properties. Fibrous phosphorus is a recently discovered allotrope comprising intertwined one-dimensional double tubes that stack through van der Waals interactions into three-dimensional crystals. Its distinctive structure gives rise to promising electronic and mechanical properties and has led to its proposal as a high-capacity anode material for lithium- and sodium-ion batteries. This project will combine atomistic modelling and experimental characterisation to understand the structural, electronic, and chemical properties of fibrous phosphorus. The student will use classical simulations and recently developed machine-learning interatomic potentials to investigate structure and electronic behaviour providing guidance for experimental synthesis. Based in Physical and Theoretical Chemistry, the student will work closely with collaborators at UCL and in Materials to establish structure–property relationships that underpin the rational design and optimisation of fibrous phosphorus for energy storage applications.

Key publications:
Magnetically and optically active edges in phosphorene nanoribbons (Nature 2025, 639, 348)
Exfoliation of Fibrous Phosphorus into Nanofibers Reaching the Size of Individual Double Tubes (ChemRxiv 2026)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Johnston group: https://www-thz.physics.ox.ac.uk

For further details please contact Mark Wilson (mark.wilson@chem.ox.ac.uk)