The University of Bath is inviting applications for the following funded PhD project commencing in October 2023.
Lead Academic Supervisor: Dr Benjamin Morgan, Department of Chemistry, University of Bath
External Co-Supervisor: Prof Saiful Islam, Department of Materials, University of Oxford
PROJECT OVERVIEW:
The development of rechargeable batteries with higher energy densities and capacities is critical for the continuing transition to a low-carbon energy economy. While lithium-ion batteries have dominated the rechargeable battery landscape, rechargeable batteries based on non-lithium-ion chemistries offer the potential for greatly increased energy densities. Fluoride-ion batteries offer some of the highest theoretical energy densities of any non-lithium-ion battery technology. In fluoride ion batteries, charging and discharging involves the transfer of fluoride (F-) ions, rather than lithium (Li+) in conventional lithium-ion batteries.
Existing fluoride-ion batteries suffer from poor performance. The development of future viable fluoride-ion batteries therefore requires the discovery of new materials that have been selected and optimised for their performance characteristics. While there has been a great deal of research into understanding how the chemistry and structure of lithium-ion battery materials affects their electrochemical properties, the current understanding of fluoride-ion battery materials is much less developed.
This PhD project focuses on the use of atomic-scale simulation methods to understand the relationships between chemical composition, structure, and performance in existing and novel fluoride-ion battery materials. The project aims to develop an understanding of both fluoride-ion cathode materials, and fluoride-ion solid electrolytes, using a combination of quantum mechanical and classical computer simulation techniques. This theoretical understanding will then be used to predict optimal materials or compositions for targeted synthesis by partner experimental groups.
This work will build on ongoing research in the groups of Dr Morgan and Prof Islam on lithium-ion battery materials. The student will develop expertise in a range of computational materials modelling methods (e.g., Density Functional Theory, Molecular Dynamics, Monte Carlo simulations) and skills in advanced scientific computer coding and data analysis (Python), as well as thorough understanding of the chemistry and physics of fluorine-ion battery materials. The project also has opportunities for collaboration with theoretical and experimental groups at national and international levels.
Project keywords: computational chemistry, theoretical chemistry, computer simulation, energy materials, fluoride-ion batteries, materials modelling
CANDIDATE REQUIREMENTS:
Applicants should hold, or expect to receive, a First Class or good Upper Second Class Honours degree (or the equivalent). A master’s level qualification would also be advantageous.
Non-UK applicants must meet our English language entry requirement.
ENQUIRIES AND APPLICATIONS:
Informal enquiries are welcomed and should be directed to Dr Benjamin Morgan on email address [Email Address Removed].
Formal applications should be made via the University of Bath’s online application form for a PhD in Chemistry.
More information about applying for a PhD at Bath may be found on our website.
Note: Applications may close earlier than the advertised deadline if a suitable candidate is found; therefore, we recommend that candidates contact the lead supervisor in advance of preparing their application and then submit their formal application as early possible.
FUNDING ELIGIBILITY:
To be eligible for funding, you must qualify as a Home student. The eligibility criteria for Home fee status are detailed and too complex to be summarised here in full; however, as a general guide, the following applicants will normally qualify subject to meeting residency requirements: UK nationals (living in the UK or EEA/Switzerland), Irish nationals (living in the UK or EEA/Switzerland), those with Indefinite Leave to Remain and EU nationals with pre-settled or settled status in the UK under the EU Settlement Scheme). This is not intended to be an exhaustive list. Additional information may be found on our fee status guidance webpage, on the GOV.UK website and on the UKCISA website.
EQUALITY, DIVERSITY AND INCLUSION:
We value a diverse research environment and aim to be an inclusive university, where difference is celebrated and respected. We welcome and encourage applications from under-represented groups.
If you have circumstances that you feel we should be aware of that have affected your educational attainment, then please feel free to tell us about it in your application form. The best way to do this is a short paragraph at the end of your personal statement.
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