Computational Design of Next Generation Electrodes for Na-ion Batteries

Most modern rechargeable batteries for transportation rely on lithium. Yet, the relatively high price, limited global availability of lithium, and environmental issues related to lithium extraction are driving demand for a more affordable alternative. This could boost the adoption of energy storage technologies across various industries. Sodium-based batteries may offer a viable solution, especially for stationary storage where cost outweighs concerns about weight or performance. In this project, we are especially interested in harnessing both cationic and anionic redox to enhance the capacity of positive electrode materials, and thus increase the energy density in Na-ion batteries.

Building on our prior work in this area, we will use a defect structure searching method recently developed in the group to understand how defects and dopants control anionic redox in emerging Na-ion cathodes, and use this to gain insight into negating voltage hysteresis and increasing cathode performance. The structure-property information yielded by this study will allow us to develop design principles for new Na-ion battery cathodes with improved electrochemical performance. Promising candidates will be experimentally tested through a collaborative network of experts in the field.

In this 3.5-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) a cover letter summarising your research interests and suitability for the position;

(2) the 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, which recognises its work in promoting women’s careers in science, technology, engineering, mathematics and medicine (STEM). Applications will be accepted until 07 June 2024 but the position will be filled as soon as an appropriate candidate is found.

Funding notes:

This studentship is fully funded for 3.5 years and includes a tax-free annual stipend (currently £19,237) and fees (currently £4,786) at the UK home rate. Due to funding restrictions, applicants not eligible for UK home fee status will only be considered in exceptional circumstances.