Postdoctoral Research Associate: Atomistic modelling of extended defects in reduced tungsten oxide

We are seeking a Research Associate to work on a new project entitled “Atomistic understanding of extended defects in reduced tungsten oxide to guide the optimisation of properties for energy applications”. This project has recently received funding from EPSRC as part of a call for proposals on UK-Japan collaboration in advanced materials.

The aim of this project is to understand the atomic structure, electronic and thermal (phononic) properties of reduced tungsten oxides by combining first principles materials modelling methods with complementary scanning transmission electron microscopy (STEM).

Your role at York will be to model the structure and properties of extended defects in tungsten oxides using first principles methods working closely with our experimental collaborators based in Japan. The collaborators in this project include the group of Prof Ikuhara (University of Tokyo) who specialise in the application of scanning transmission electron microscopy (STEM) to understand crystal defects and the group of Prof Hiromichi Ohta (Hokkaido University) who grow high-quality thin-films of functional oxides for thermoelectric, electronic and electrochemical applications. By combining our expertise and capabilities in a synergistic and tightly integrated manner we aim to uncover structure-property relationships at the atomic scale and identify design rules for optimising materials properties by defect and microstructure engineering.

Skills, Experience and Qualification needed:

• A PhD in Physics, Chemistry or related Physical Science.
• A track record of high-quality peer-reviewed publications.
• Knowledge of computational materials modelling and the underpinning physics/chemistry concepts to engage in high quality research.
• Proven ability to apply density functional theory methods (e.g., VASP, CP2K or similar) for predictive modelling of the structure and properties of materials.
• Excellent communications skills.
• While not essential, experience in theoretical modelling of surface or interface defects and/or calculation of the vibrational properties of materials would be an advantage.

The position is available on a fixed term basis for 2 years. For informal enquiries: please contact Prof Keith McKenna (keith.mckenna@york.ac.uk) or pet-hr@york.ac.uk. Click here for more details and to apply. The closing date for applications is 13 April 2025.

PhD studentships

No funded positions are currently available but we welcome enquiries from prospective graduate students who either have their own source of funding or who may be eligible to apply for scholarships (e.g. see funding opportunties at https://www.york.ac.uk/physics-engineering-technology/study/funding/).