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Atomistic Modelling Studies of New Materials for Lithium Batteries

  • Full or part time
  • Application Deadline
    Sunday, March 01, 2020
  • Funded PhD Project (European/UK Students Only)
    Funded PhD Project (European/UK Students Only)

Project Description

The University of Bath is inviting applications for a PhD opportunity in the Department of Chemistry under the supervision of Prof Saiful Islam.

Developing batteries for next-generation electronic and electric vehicle applications requires new materials with high energy densities and long lifetimes. Currently, there is significant research interest in oxide and mixed-anion cathode compounds and solid electrolyte materials for safer solid-state batteries. However, the fundamental local structural and Li-ion diffusion properties of new materials are often not well characterised at the atomic scale.

This PhD project will use a range of powerful atomistic computer modelling techniques to investigate structural, ionic transport and electronic properties of:
- lithium-rich oxide and oxyfluoride cathodes;
- promising candidates for solid electrolytes.

The student will gain considerable experience in a range of cutting-edge computational techniques, and will interact with related experimental synthesis, electrochemical and structural work with groups at Oxford and Birmingham. This project is fully aligned with the research priorities of projects of the new Faraday Institution, and builds upon recent work at Bath on battery materials [e.g. 1-4].

Group website for research details:

Applicant profile:

Applicants should hold, or expect to receive, a First Class or high Upper Second Class UK Honours degree (or equivalent) in Chemistry, Physics, Materials Science or a related discipline. A master’s level qualification would also be advantageous. Non-UK applicants must meet our English language entry requirement

How to apply:

Informal enquiries are welcomed and should be addressed to Prof Saiful Islam, .

Formal applications should be made via the University of Bath’s online application form for a PhD in Chemistry:

Please ensure that you quote the supervisor’s name and project title in the ‘Your research interests’ section.

More information about applying for a PhD at Bath may be found here:

Anticipated start date: 28 September 2020.

Funding Notes

UK and EU citizens applying for this project will be considered for a University Research Studentship which will cover UK/EU tuition fees, a training support grant of £1,000 per annum and a tax-free maintenance allowance at the UKRI Doctoral Stipend rate (£15,009 in 2019-20) for a period of up to 3 years. Early application is strongly recommended.


[1] Fampriskis T, et al., Nature Mater., 18, 1278 (2019).
[2] Islam M S and Fisher C A J, Chem. Soc. Rev. 43, 185 (2014).
Recent papers
[3] Dawson JA, et al., Energy Environ. Sci., 11, 2993 (2018).
[4] Dawson JA, et al., J. Am. Chem. Soc., 140, 362 (2018).

How good is research at University of Bath in Chemistry?

FTE Category A staff submitted: 33.10

Research output data provided by the Research Excellence Framework (REF)

Click here to see the results for all UK universities

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