This project develops novel organometallic precursors of group II cations for atomic layer deposition (ALD) of oxide and sulfide perovskite thin films. ALD offers atomic-level control through sequential surface reactions, producing high-quality films for advanced technologies such as photovoltaics and photocatalysis. The student will train in synthetic chemistry in the Aldridge labs and investigate gas-phase ALD processes in the Steier labs

Key publications:
Enabling nucleophilic reactivity in molecular calcium fluoride complexes (Nature Chem. 2024, 16, 1473)

Useful links:
Aldridge group: https://aldridge.web.ox.ac.uk/home
Steier group: https://steiergroup.web.ox.ac.uk

For further details please contact Simon Aldridge (simon.aldridge@chem.ox.ac.uk) and/or Ludmilla Steier (ludmilla.steier@chem.ox.ac.uk)

This project will focus on the design, synthesis and characterisation of inorganic molecular compasses, i.e. metal coordination complexes that are sensitive to magnetic fields. The optical properties of such “compasses”, during light-induced electron transfer reactions, can be surprisingly sensitive to magnetic fields. We will start by synthesising ferocene-metalloporphyin-C₆₀ triads, and optimise the molecular structure to maximize magnetic sensitivity using techniques such as EPR and picosecond transient absorption spectroscopy

Key publications:
Chemical compass behaviour at microtesla magnetic fields strengthens the radical pair hypothesis of avian magnetoreception (Nature Communications 2019 10, 3707)

Useful links:
Anderson group: http://hla.chem.ox.ac.uk
Timmel group: http://timmel.chem.ox.ac.uk

For further details please contact Harry Anderson (harry.anderson@chem.ox.ac.uk) and/or Christiane Timmel (christiane.timmel@chem.ox.ac.uk)

This project will develop advanced characterisation techniques to identify and understand early phase separation behaviour in model alloys. It will then make use of these to explore and better understand phase precipitation present in real-world engineering materials used in nuclear fission, fusion and automotive alloy sectors. This knowledge will help guide future alloy design and processing conditions to offer
improvements in these key areas.

Useful links:
Bagot group: https://atomprobe.materials.ox.ac.uk
Hofmann group: https://hofmanngroup.org

For further details please contact Paul Bagot (paul.bagot@materials.ox.ac.uk) and/or Felix Hofmann (felix.hofmann@eng.ox.ac.uk)

Conventional silicon solar cells face efficiency limitations due to high doping in contacts and carrier separation layers. Passivating carrier-selective contacts using nanolayer inorganic thin films offer a promising solution to overcome such limitations. This project aims to develop and integrate metal oxide thin films into tandem solar cell architectures, enhancing performance and cost-effectiveness while contributing to advancing future photovoltaics technology and the green energy transition.

Useful links:
Bonilla group: https://interface.materials.ox.ac.uk/
Snaith group: https://www.physics.ox.ac.uk/research/group/photovoltaic-and-optoelectronic-device-group

For further details please contact Sebastian Bonilla (sebastian.bonilla@materials.ox.ac.uk)

Disordered rock salt (DRS) cathodes offer a new route to high-capacity batteries that go beyond today's limits. This project explores the frontier of combining DRS materials with solid-state battery technology, one of the most promising and in-demand designs for next-generation energy storage.

Useful links:
Bruce group: https://pgbgroup.materials.ox.ac.uk/
Goodwin group: https://goodwingroupox.uk/

For further details please contact Peter Bruce (peter.bruce@materials.ox.ac.uk)

Solid-state batteries promise safer, higher-energy storage, but they still fail in ways we don’t fully understand. This project will use operando X-ray tomography to investigate degradation inside working cells, and in collaboration with electro-chemo-mechanical modellers, explain how voids and cracks form and evolve to reveal the root causes of failure and guide the design of next-generation batteries.

Key publications:
Dendrite initiation and propagation in lithium metal solid-state batteries (Nature 2023, 618, 287)

Useful links:
Bruce group: https://pgbgroup.materials.ox.ac.uk/
Marrow group: https://www.materials.ox.ac.uk/peoplepages/marrow.html

For further details please contact Peter Bruce (peter.bruce@materials.ox.ac.uk)

This project offers an opportunity to carry out solid state chemical synthesis to control the compositions of new complex solids and probe them using state of the art structural and spectroscopic techniques. In particular, Hard X-ray Photoelectron Spectroscopy, X-ray and neutron diffraction and X-ray absorption spectroscopy, all performed at International Research facilities will be used to correlate oxidation states, structures and compositions with physical and chemical properties.

Key publications:
Anion redox as a means to derive layered manganese oxychalcogenides with exotic intergrowth structures (Nat Commun 2023, 14, 2917)
Structures and Magnetic Ordering in Layered Cr Oxide Arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs (Inorg. Chem. 2022, 61, 12373)
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020 (J. Phys.: Condens. Matter 2021, 33, 233001)
Satellites in the Ti 1𝑠 core level spectra of SrTiO₃ and TiO (Phys. Rev. B 2022, 106, 205138)

Useful links:
Clarke group: https://www.chem.ox.ac.uk/people/simon-clarke
Regoutz group: https://a-x-s.org/

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk)

Molecular systems that can simultaneously store quantum information in spin states, and efficiently couple to those spin states via bright optical transitions, are rare. This project will spearhead a new generation of luminescent quantum molecular materials and provide interdisciplinary training across inorganic, organic and physical chemistry, and photophysics.

Key publications:
Radical TADF: Quartet-Derived Luminescence with Dark TEMPO (Adv. Mater. 2025, 37, 2501164)

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

For further details please contact Daniel Congrave (dan.congrave@chem.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.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:
Reagentless Redox Capacitive Assaying of C‐Reactive Protein at a Polyaniline Interface (Anal. Chem. 2020, 92, 3508)
Graphene Oxide Interfaces in Serum Based Autoantibody Quantification (Anal. Chem. 2015, 87, 346)
Redox Capacitive Assaying of C-Reactive Protein at a Peptide Supported Aptamer Interface (Anal. Chem. 2018, 90, 3005)
Ultrafast Biomarker Quantification through Reagentless Capacitive Kinetics (Anal. Chem. 2023, 95, 4721)
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)

Compared to molecular chemistry, the mechanisms of solid-state reactions are incompletely understood. In this project, we will combine machine-learning methods for atomic-scale simulations with experimental characterisation. The long-term aim is to build a complete microscopic picture of how complex functional materials are made and how their synthesis could be optimised.

Key publications:
Simulations in the era of exascale computing (Nat. Rev. Mater. 2023, 8, 309)
Disproportionation of Co²⁺ in the Topochemically Reduced Oxide LaSrCoRuO₅, (Angew. Chem. Int. Ed. 2024, 63, e202313067)

Useful links:
Deringer group: https://www.chem.ox.ac.uk/people/volker-deringer
Hayward group: https://users.ox.ac.uk/~iclb0127/

For further details please contact Volker Deringer (volker.deringer@chem.ox.ac.uk)

This project develops a new generation of lanthanide-based probes for magnetic resonance imaging (MRI) which are activated by reducing conditions for selective imaging of hypoxic cancer tissue. Research will develop scalable synthetic methods for these complexes, including translation to continuous flow. This will enable electrochemistry and enzyme assays to establish their redox stability in biological environments, as well as magnetic relaxivity measurements in vitro and within tissue.

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

For further details please contact Steve Faulkner (Stephen.faulkner@chem.ox.ac.uk) and/or Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

Emerging evidence suggests chiral organic and hybrid materials can act as filters for electronic spin. Such materials should therefore open the door to low power room temperature spintronic applications, including in quantum technologies. This project will combine chiral materials chemistry and advanced characterisation to better understand the origin of this spin selectivity effect and seek to maximise it for future technological innovation.

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://www.chem.ox.ac.uk/people/matthew-fuchter
Regoutz group: https://a-x-s.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 DPhil project explores the development of amorphous SiO₂–TiO₂ thin films for advanced coatings with applications in energy, optics, and environmental technologies. Combining sol–gel synthesis with machine-learning-driven simulations, the research aims to uncover how atomic-scale disorder influences material performance. Bridging experimental and computational approaches, 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)

This project develops carbon-doped hexagonal boron nitride (hBN), a 2D material with room-temperature quantum properties, for use in scalable quantum technologies. Using advanced synthesis and characterisation techniques, it aims to enable the deterministic creation of optically active spin defects for next-generation quantum devices.

Useful links:
Grobert group: https://www.materials.ox.ac.uk/peoplepages/grobert.html
Stern group: https://www.materials.ox.ac.uk/peoplepages/stern.html

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.ox.ac.uk)

This project explores the synthesis and modelling of boron carbon nitride (BCN) nanomaterials using chemical vapour deposition and atomistic simulations to tailor their structure and properties. It aims to advance the design of multifunctional inorganic materials for scalable, high-performance applications.

Useful links:
Grobert group: http://www-grobert.materials.ox.ac.uk
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson

For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) and/or Mark Wilson (mark.wilson@chem.ox.ac.uk)

Disordered rocksalt (DRS) cathodes are an exciting new class of cathode material which could replace conventional NMC cathodes in lithium ion batteries due to their high energy density and reduced dependence on critical minerals. However, there has been no research into their basic mechanical properties, nor how it is related to processing routes. This project will undertake research that is vital to understanding degradation and failure mechanisms in DRS materials if they are to find widespread commercial deployment.

Key publications:
Lithium manganese oxyfluoride as a new cathode material exhibiting oxygen redox (Energy Environ. Sci. 2018, 11, 926)
Redox Chemistry and the Role of Trapped Molecular O₂ in Li-Rich Disordered Rocksalt Oxyfluoride Cathodes (J. Am. Chem. Soc. 2020, 142, 21799)
Dendrite initiation and propagation in lithium metal solid-state batteries (Nature 2023, 618, 287)

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

Rechargeable batteries using divalent Mg²⁺ ions rather than monovalent Li⁺ ions could offer double the charge storage capacity; however, they are currently limited by a lack of stable electrolytes. Here, we will investigate the use of polymers as solid electrolytes to enable high performance, all-solid-state Mg-ion batteries

Useful links:
House group: https://www.materials.ox.ac.uk/peoplepages/house.html
Gregory group: https://www.chem.ox.ac.uk/people/georgina-gregory

For further details please contact Robert House (robert.house@materials.ox.ac.uk) and/or Georgina Gregory (Georgina.gregory@chem.ox.ac.uk)

Li-rich disordered cathodes offer a promising route towards Li-ion batteries with improved energy and power density. Local ordering can improve the Li+ diffusion network, leading to significant improvements in fast charge/discharge performance, but little is known about how to control it. This project seeks to understand how to manipulate local ordering using targeted synthesis, processing methods, advanced electron microscopy and other characterisation tools.

Useful links:
House group: https://www.materials.ox.ac.uk/peoplepages/house.html
Nellist group: https://www-stemgroup.materials.ox.ac.uk/people/people-peter.html

For further details please contact Robert House (robert.house@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 developing 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 Robert Hoye (robert.hoye@chem.ox.ac.uk)

Halide perovskites are highly versatile materials that efficiently emit light. This project develops these materials for advanced light emission applications, particularly linearly and circularly polarized emission, which is necessary for a wide range of information and communication technology applications.

Key publications:
Strongly-confined colloidal lead-halide perovskite quantum dots: from synthesis to applications (Chem. Soc. Rev. 2024, 53, 8095)
Direct linearly polarized electroluminescence from perovskite nanoplatelet superlattices (Nat. Photon. 2024, 18, 586)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Fuchter group: https://www.chem.ox.ac.uk/people/matthew-fuchter

For further details please contact Robert Hoye (robert.hoye@chem.ox.ac.uk) and/or Matthew Fuchter (matthew.fuchter@chem.ox.ac.uk)

Lightweight organic photovoltaics can be used to expand the impact of solar cells beyond rooftop applications, including integration into the façade of buildings, onto the curved surfaces of electric vehicles to extend their range, and onto greenhouses to simultaneously generate clean electricity while enhancing the yield of crops. This project aims to develop blade coating of non-fullerene acceptor bulk heterojunction solar cells, coupled with advanced spectroscopic and synchrotron characterisation to understand how the performance of these scaled-up materials could be improved. This project also develops spatial atomic layer deposition of nanolaminate stacks to improve stability.

Key publications:
Spatial Atomic Layer Deposition for Energy and Electronic Devices (PRX Energy 2025, 4, 017002)
Key molecular perspectives for high stability in organic photovoltaics (Nat. Rev. Mat. 2023, 8, 839)

Useful links:
Hoye group: https://hoyegroup.web.ox.ac.uk/
Kim group: https://www.chem.ox.ac.uk/people/ji-seon-kim

For further details please contact Robert Hoye (robert.hoye@chem.ox.ac.uk)

This project will develop synthetic nanopores and transport systems for controlled ion and water transport across lipid bilayer membranes. Functional integration into paramagnetic nanoparticles and liposome to develop responsive MRI contrast agents will be explored.

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Davis group: https://jjdgroup.co.uk
ISIS: https://www.isis.stfc.ac.uk/Pages/Inter-Science-Highlights.aspx

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk ) and/or Jason Davis (jason.davis@chem.ox.ac.uk)

This project will develop supramolecular transporter systems that operate far from equilibrium, enabling active molecular transport powered by light or chemical fuels. It will explore how these transport systems can be coupled to chemical oscillators to create smart materials that can adapt to their environment.

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Fletcher group: https://www.chem.ox.ac.uk/people/stephen-fletcher

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk )

This project will involve the chemical design and synthesis of inorganic molecular photoswitches with aggregation induced emission (AIE) properties, and interrogation of the photo-switching/photo-luminescence behaviour and guest binding capabilities (Langton group). These systems will be fabricated into stimuli-responsive photoluminescent electrospun fibres (Tan group), for applications in sensing and guest binding and delivery.

Useful links:
Langton group: https://langtonrg.web.ox.ac.uk
Tan group: https://eng.ox.ac.uk/mmclab/

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk)

This project aims to enhance optoelectronic device efficiency by investigating the atomic structure of functional oxide thin films, facilitating rational design and optimisation, and targeting the improvement of solar cell devices for sustainable clean energy generation.

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)

Modelling will be used to better understand the effect of manufacturing route, processing and environment on the formation of non-stoichiometric oxides in nuclear reactors. These oxides are often neglected thermodynamically (e.g. not considered in Pourbaix diagrams).

Useful links:
Lozano-Perez group: https://nanoanalysis.web.ox.ac.uk/
Nicholls group: https://nichollsgroup.web.ox.ac.uk

For further details please contact Sergio Lozano-Perez (sergio.lozano-perez@materials.ox.ac.uk) and/or Rebecca Nicholls (rebecca.nicholls@materials.ox.ac.uk)

This project transforms ceramic manufacturing by unlocking precise control over grain boundaries—the key microstructural features that dictate material performance. Leveraging advanced SEND (Scanning Electron Nanobeam Diffraction) technology, it creates a powerful workflow to link manufacturing parameters like sintering
and raw material choices directly to grain boundary structures. This data-driven approach enables optimized, scalable production routes for high-performance ceramics in energy applications.

Useful links:
Marquardt group: https://www.materials.ox.ac.uk/peoplepages/marquardt.html
Allen group: https://www.materials.ox.ac.uk/peoplepages/allen.html

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk)

Next-generation nuclear shielding materials are key to enabling sustainable, large-scale, low-carbon energy. Tungsten composites stand out for their ability to endure extreme heat and intense radiation, but their interfaces are vulnerable to defect buildup that leads to embrittlement. This project empowers a student to explore these
microstructures and use advanced testing and electron microscopy tools to engineer tougher, more sustainable materials for the future of clean nuclear power.

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

For further details please contact Katharina Marquardt (katharina.marquardt@materials.ox.ac.uk)

In this project, heterobimetallic catalysts combining a Platinum Group metal and an earth-abundant metal will be developed, targeting novel reactivity in C–H to aldehyde conversion – a reaction currently not feasible to either metal alone. These systems will leverage cooperative metal interactions to enable bond-breaking and bond-forming steps, allowing for the direct functionalization of arenes. The student will develop skills in organic and inorganic synthesis, in catalysis, and in the characterization of heterogenous/nano-materials.

Key publications:
A Zintl Cluster for Transition Metal-Free Catalysis: C=O Bond Reductions (J. Am. Chem. Soc. 2022, 144, 21213)
Transforming carbon dioxide into a methanol surrogate using modular transition metal-free Zintl ions (Nat. Commun. 2024, 15, 10030)
Methane Beryllation Catalyzed by a Base Metal Complex (J. Am. Chem. Soc. 2025, 147, 10073)
A Crystalline NiX₆ Complex (J. Am. Chem. Soc. 2024, 146, 35208)
A nucleophilic gold complex (Nat. Chem. 2019, 11, 237)

Useful links:
Mehta group: mehtalab.co.uk
Aldridge group: https://aldridge.web.ox.ac.uk/home

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

A new class of clusters incorporating sustainable f-block and p-block elements will be developed. Their unique electronic structures, as well as their magnetic and luminescent properties, will be characterized. Their potential in redox-mediated C–C and C–B bond-forming reactions will then be investigated. This project will involve expertise in organic and inorganic synthesis, spectroscopy, and computational chemistry.

Key publications:
A Zintl Cluster for Transition Metal-Free Catalysis: C=O Bond Reductions (J. Am. Chem. Soc. 2022, 144, 21213)
Transforming carbon dioxide into a methanol surrogate using modular transition metal-free Zintl ions (Nat. Commun. 2024, 15, 10030)
Binuclear Lanthanide Complexes as Magnetic Resonance and Optical Imaging Probes for Redox Sensing (Chem. Eur. J. 2025, 31, e202404748)
Chelating chloride using binuclear lanthanide complexes in water (Chem. Sci. 2023, 14, 1194)
Photoswitchable luminescent lanthanide complexes controlled and interrogated by four orthogonal wavelengths of light (Phys. Chem. Chem. Phys. 2024, 26, 18683)

Useful links:
Mehta group: mehtalab.co.uk
Faulkner group: https://faulkner.chem.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk) and/or Stephen Faulkner (stephen.faulkner@chem.ox.ac.uk)

This project investigates heterogenous phosphorus materials in chemo bulk catalysis and electrocatalysis to convert nefarious greenhouse gases (including CO₂ and N₂O) into the useful feedstock chemicals that manufacturing sectors are heavily reliant on, for example formic acid, methanol and amines. This project involves skills in organic and inorganic synthesis, solution- and solid-state spectroscopic methods, and electrochemistry.

Key publications:
A Zintl Cluster for Transition Metal-Free Catalysis: C=O Bond Reductions (J. Am. Chem. Soc. 2022, 144, 21213)
Cofactor-free biocatalytic hydrogenation of nitro compounds for synthesis of amines (ChemRxiv 2024, Preprint)

Useful links:
Mehta group: mehtalab.co.uk
Vincent group: http://vincent.chem.ox.ac.uk

For further details please contact Meera Mehta (meera.mehta@chem.ox.ac.uk)

This project is focused on the development of sustainable, earth-abundant organometallics for modern chemical synthesis. The project aims to develop new classes of low-valent organometallic complexes based on iron, cobalt and manganese for applications in reactions such as strong bond activation and hydrogenation/hydrogen
borrowing to enable the sustainable introduction of molecular complexity in chemical transformations central to the production of pharmaceuticals and fine chemicals.

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 sits in the important area of advanced energy materials, and focuses on the development of halide perovskites, particularly for solar cell applications. The research programme aims to develop new chemical routes to modulate lattice properties of perovskite materials for next-generation tandem solar cells using a combined synthesis, characterisation, and modelling approach, which will enable crucial advances in device
stability.

Noel group: https://www.physics.ox.ac.uk/research/group/novel-energy-materials-and-advanced-characterisation
Islam group: https://www.materials.ox.ac.uk/peoplepages/islam.html

For further details please contact Nakita Noel (nakita.noel@physics.ox.ac.uk)

The commercial implementation of solid-state batteries with metallic lithium anodes promises to revolutionise electric vehicles. However, the limited transport of lithium atoms within lithium metal restricts performance, particularly at low temperatures. This project aims to synthesise and characterise high-diffusivity lithium intermetallics to enhance lithium transport and address this limitation in lithium-based anodes.

Key publications:
Effect of microstructure on the cycling behavior of Li–In alloy anodes for solid-state batteries (ACS Energy Lett. 2024, 9, 578)

Useful links:
Pasta group: https://www.pastagroup.org
Armstrong group: https://www.materials.ox.ac.uk/peoplepages/armstrong.html

For further details please contact Mauro Pasta (mauro.pasta@materials.ox.ac.uk) and/or David Armstrong (david.armstrong@materials.ox.ac.uk)

The commercial implementation of solid-state batteries with metallic lithium anodes promises to revolutionise electric vehicles. Unfortunately, the limited transport of lithium atoms within lithium foils necessitates operation at elevated temperatures. This project aims to understand stress-coupled diffusion in lithium foils through a combination of mechanical modelling and experimental electrochemistry.

Key publications:
The impact of magnesium content on lithium-magnesium alloy electrode performance with argyrodite solid electrolyte (Nat. Commun. 2024, 15, 4511)
EBSD-coupled indentation: nanoscale mechanics of lithium metal (Materials Today Energy 2022, 30, 101183)

Useful links:
Pasta group: https://www.pastagroup.org
Brassart group: https://eng.ox.ac.uk/brassart/

For further details please contact Mauro Pasta (mauro.pasta@materials.ox.ac.uk) and/or Laurence Brassart (laurence.brassart@eng.ox.ac.uk)

Electrolyte development remains a key challenge in advancing beyond-lithium-ion battery chemistries. Data-driven machine learning approaches have the potential to accelerate electrolyte discovery, but their impact depends on the availability of reliable, information-rich descriptors. In this project the student will develop ORGA (operando Raman gradient analysis) into a high-throughput technique capable of rapidly quantifying key electrolyte transport and thermodynamic properties using a combined experimental-computational approach.

Key publications:
Operando Raman Gradient Analysis for Temperature-Dependent Electrolyte Characterization (ACS Energy Lett. 2024, 9, 3636)
Transport and thermodynamic properties of KFSI in TEP by operando Raman gradient analysis (ACS Energy Lett. 2024, 9, 1537)

Useful links:
Pasta group: https://www.pastagroup.org
Yates group: https://www.materials.ox.ac.uk/peoplepages/yates.html

For further details please contact Mauro Pasta (mauro.pasta@materials.ox.ac.uk) and/or Jonathan Yates
(jonathan.yates@materials.ox.ac.uk)

This project concerns the use of laser processing methods to fabricate colour centre defects in wide gap materials. The goal is to create materials with patterns of individual coherent atomic defects that can act as single photon sources and qubits for quantum communications, sensing and computing. The project will involve performing the laser processing and characterising the resultant materials to understand what defects are being created and their formation mechanisms.

Useful links:
Smith group: https://www.materials.ox.ac.uk/peoplepages/smithj.html
Stern group: Sternlab.co.uk

For further details please contact Jason Smith (jason.smith@materials.ox.ac.uk) and/or Hannah Stern (hannah.stern@materials.ox.ac.uk)

This project involves the chemical modification of the surfaces of ceramic high-temperature copper oxide superconductors in order to enable these materials to be deployed at scale for high-field superconducting magnets. The work will span thin film synthesis, wet chemical treatment of the films and the use of many experimental methods for structural and physical property measurements in-house and at International Facilities.

Useful links:
Speller group: https://www.materials.ox.ac.uk/peoplepages/speller.html
Clarke group: https://clarkegroup.web.ox.ac.uk/home
Oxford Centre for Applied Superconductivity: https://www.cfas.ox.ac.uk

For further details please contact Susie Speller (susannah.speller@materials.ox.ac.uk)

CO₂ can be electrochemically converted into valuable carbon-neutral feedstocks. Copper nanoparticles are leading electrocatalysts, delivering high yields but with poor selectivity. This project combines first-principles computational chemistry with operando characterization to probe active sites in copper perovskites and uncover how non-zero Cu oxidation states govern and potentially improve product selectivity.

Key publications:
2022 roadmap on low temperature electrochemical CO₂ reduction (J. Phys. Energy 2022, 4, 042003)
Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges (J. Chem. Phys. 2022, 156, 120902)
Probing electrode/electrolyte interfaces in situ by X-ray spectroscopies: old methods, new tricks (Phys. Chem. Chem. Phys. 2015, 17, 30229)

Useful links:
Stamatakis group: http://stamatakislab.org/
Steier group: https://steiergroup.web.ox.ac.uk/home

For further details please contact Michail Stamatakis (michail.stamatakis@chem.ox.ac.uk) and/or Ludmila Steier (ludmilla.steier@chem.ox.ac.uk)

This project will develop methodologies to reliably produce high-performing photocatalytic nanoparticles and better understand the structure-property relationships through advanced characterisation techniques.

Useful links:
Stevens group: https://www.stevensgroup.org
Bagot group: https://atomprobe.materials.ox.ac.uk
ISIS SANS group: https://www.isis.stfc.ac.uk/pages/sansgroup.aspx

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk)

Maintaining desirable optical properties of nanomaterials in aqueous and oxygen-rich environments is challenging. This project will focus on the synthesis of novel polymer-small molecule mixed systems with the aim to achieve high performing optoelectronic nanoparticles for application in these challenging environments.

Useful links:
Stevens group: https://www.stevensgroup.org
Congrave group: https://www.chem.ox.ac.uk/people/dan-congrave

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk) and/or Daniel Congrave (dan.congrave@chem.ox.ac.uk)

Nanocarriers have revolutionized medicine, notably expediting anti-COVID-19 vaccine development. Yet the major obstacle in their clinical application is the challenging control of nanoscale particle synthesis, leading to heterogeneity and impeding manufacturing and regulatory processes. This project aims to enhance organic and inorganic nanoformulations for mRNA vaccine delivery by leveraging the unparalleled insights into the structure-function-performance relationship, enabled by the combination of SPARTA® analysis (Molly Stevens’ group) and high-resolution electron imaging (Peter Nellist’s group).

Useful links:
Stevens group: https://www.stevensgroup.org
Nellist group: https://www-stemgroup.materials.ox.ac.uk/people/people-peter.html

For further details please contact Molly Stevens (molly.stevens@dpag.ox.ac.uk) and/or Peter Nellist (peter.nellist@materials.ox.ac.uk)

The efficient production of green hydrogen by electrochemical water splitting requires highly active and stable electrocatalysts, however these often use scarce and costly platinum group metals (e.g. Iridium). This project will investigate multicomponent oxides, made from earth-abundant transitions metals, to understand their chemical state during electrocatalysis and how tuning their composition and structure can access alternative reaction pathways and alter activity/stability. This will inform the design of next-generation electrocatalysts needed for net-zero chemical production and energy storage.

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Nicholls group: https://nichollsgroup.web.ox.ac.uk

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or Rebecca Nicholls (rebecca.nicholls@materials.ox.ac.uk)

Many reactions proceed most efficiently at high-pressures, where catalytic surfaces can dramatically restructure with reaction conditions, influencing activity and selectivity, as well as making it challenging to identify the nature of the active sites. This project aims to observe and understand the reaction-induced restructuring of catalyst nanoparticles for synthetic fuel production, to identify the most active state of the catalyst and use this to stabilise preferred active sites, that can enhance activity and selectivity towards desired products.

Key publications:
A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies (ChemRxiv 2025, Preprint)
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts (Comp. Phys. Comm. 2022, 210, 108148)

Useful links:
Wheatherup group: https://emi.web.ox.ac.uk
Stamatakis group: http://stamatakislab.org/

For further details please contact Robert Wheatherup (robert.weatherup@materials.ox.ac.uk) and/or Michail Stamatakis (michail.stamatakis@chem.ox.ac.uk)

Using carbon dioxide to make polymers is a priority since it is truly catalytic, produces valuable and scalable products and reduces overall greenhouse gas emissions. Here, experimental and digital methods improve identification of the most active, selective and controlled homogeneous catalysts, prioritising use of earth abundant metals operating at low carbon dioxide pressures.

Key publications:
Quantifying CO₂ Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts (J. Am. Chem. Soc. 2024, 15, 10451)

Structure-Activity Relationships for s-Block Metal/Co(III) Heterodinuclear Catalysts in Cyclohexene Oxide Ring-Opening Copolymerizations (Angew. Chem. Int. Ed. 2025, e202422497)

Useful links:
Williams group: Home - Charlotte Williams Research (ox.ac.uk)

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

Highly controlled polymerization catalysts deliver sophisticated block polymer structures featuring regular sites for metal or ion coordination to the polymer backbone. Polymers coordinate low amounts of s-block and other earth abundant metals to form high-performance elastomers and ionomers which are electrically triggered to undergo shape and property changes. At end-life, the entire polymer material undergoes heat-triggered closed loop recycling to the monomers.

Key publications:
Toughening CO₂-Derived Copolymer Elastomers Through Ionomer Networking (Adv. Mater. 2023, 35, 2302825)
The Science of Polymer Chemical Recycling Catalysis: Uncovering Kinetic and Thermodynamic Linear Free Energy Relationships (J. Am. Chem. Soc. 2025, 147, 22734)

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

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

Transition metal fluoride conversion cathodes (FeF₂/CuF₂) represent a promising cathode material as they possess higher capacity at lower cost than current intercalation cathodes. However, limited cycling stabilities have impeded their practical use because of amorphous degradation products from the battery cycling, appearing both as internal domains and at the electrolyte/electrode interface itself. This project aims to model and experimentally characterise the degradation products of battery cycling in tandem to identify degradation pathways by combining electrochemical measurements and direct interfacial modelling.

Key publications:
Understanding the conversion mechanism and performance of monodisperse FeF₂ nanocrystal cathodes (Nat. Mater. 2020, 19, 644)
Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces (Nat. Nanotech. 2025, 20, 639)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Perkin group: https://perkin.web.ox.ac.uk

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

Fluoride-ion batteries are a promising post-lithium chemistry due to the abundance of raw materials. The principal bottleneck is the scarce solubility of fluoride salts in common solvents. This project revolves around the screening and design of fluoride containing liquid electrolytes, with the ultimate aim of rationally informing targeted syntheses and testing their stability at electrode interfaces under operating conditions.

Key publications:
Imidazolium-Based Ionic Liquid Electrolytes for Fluoride Ion Batteries (ACS Energy Lett. 2024, 9, 6104)
Advancing Fluoride-Ion Batteries with a Pb-PbF₂ Counter Electrode and a Diluted Liquid Electrolyte (ACS Energy Lett. 2024, 9, 85)

Useful links:
Wilson group: https://www.chem.ox.ac.uk/people/mark-wilson
Perkin group: https://perkin.web.ox.ac.uk

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