PhD Studentship: Understanding the Defect Chemistry and Interface Properties of Emerging Wide Band Gap Oxides for Optoelectronic Applications

Wide band gap (WBG) materials are assumed to be insulators, materials that display metallic conductivity are assumed to be opaque, and these two properties are often thought to be mutually exclusive. Transparent conducting oxides (TCOs), however, are unique materials that display optical transparency and electrical conductivity in a single material, making them indispensable in modern optoelectronics; they are vital components in solar cells, smart windows, touch screens, flat panel displays, etc and are now finding success for power electronics applications.

Despite these many applications, there is a heavy dependence on a small number of post transition metal TCOs (ZnO, SnO2, In2O3, Ga2O3), which places limitations on the number and type of devices that they can support. Discovering more WBG oxides that can be doped to display metallic conductivity is therefore a grand challenge in the field. As part of the PRAETORIAN project, you will computationally predict and fully characterise a range of new TCOs. Based on proof-of-concept work where we have computationally designed and experimentally realised the first new TCO in over a decade, this project will use computational modelling techniques to screen underexplored post transition metal oxide chemistries. The structure-property information yielded by this study will allow us to develop design principles for new TCOs with targeted band alignments for a range of devices. Promising candidates will be experimentally tested through a collaborative network of experts in the field. In this 4-year Computational Project you will build a strong foundation in the use of state-of-the-art Computational Chemistry techniques, and you will extend the boundaries of computational materials design through the combination of cutting edge electronic structure simulation techniques for bulk, surface and interface calculations.

The successful applicant should have or expect to achieve at least a 2.1 honours or equivalent at Bachelors or Masters level in Chemistry, Physics, Materials Science, or a related discipline. The successful applicant will demonstrate strong interest and self-motivation in the subject and the ability to think analytically and creatively. Good computer skills, plus good presentation and writing skills in English, are required. Previous research experience in contributing to a collaborative interdisciplinary research environment is highly desirable but not necessary as training will be provided. Experience of computer modelling is desirable but not essential as full training will be provided in an active and well-resourced research group based in brand new state-of-the-art Chemistry laboratories at the rapidly growing University of Birmingham. Please visit our group website for more details about our research: http://davidscanlon.com/

Applications must be made through the university’s on-line application system [https://www.birmingham.ac.uk/postgraduate/courses/research/chemistry/chemistry-phd.aspx]. Please provide: (1) cover letter summarising your research interests and suitability for the position; (2) contact details of two people able to provide a letter of reference; and (3) a full curriculum vitae. The School of Chemistry is keen to achieve a gender and diversity balance across the School and welcome applicants from all backgrounds. The School holds an Athena SWAN Bronze Award. Applications will be accepted until 15 March 2024 but the position will be filled as soon as an appropriate candidate is found.

This studentship is fully funded by UKRI for 4 years and includes a tax-free annual stipend (currently £18,622) and fees (£4,712) at the UK home rate. Due to funding restrictions, applicants not eligible for UK home fee status will only be considered in exceptional circumstances.