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Computer Modelling Studies of New Perovskite Materials for Solar Cells

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  • Full or part time
    Prof Saiful Islam
  • Application Deadline
    No more applications being accepted
  • Competition Funded PhD Project (European/UK Students Only)
    Competition Funded PhD Project (European/UK Students Only)

Project Description

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

Solar cells based on halide perovskites have shown an unprecedented rapid rise in power conversion efficiencies, but exhibit instability issues. Ionic transport has been found to be an important factor contributing to these effects in the prototype perovskite, methylammonium lead iodide (CH3NH3PbI3); indeed, our study provided the first atomistic insights into iodide ion migration [2015 Nature Comm paper [1] cited > 1,100 times].

We propose an exciting PhD programme that will investigate structural, ionic transport and electronic properties of new mixed cation and 2D halide perovskites using advanced computer modelling techniques (building on our related energy materials work [1-3]). The prototypes will be the Pb-iodide perovskites and will be extended to Br- and Sn-based materials. Complimentary experimental links will allow comparison with working perovskite-based devices.

Candidate requirements:

Applicants should hold, or expect to receive, a First Class or good Upper Second Class Honours degree (or the equivalent) in Chemistry, Physics, Materials Science or a related discipline. A master’s level qualification would also be advantageous.

Enquiries and applications:

Informal enquiries are welcomed and should be directed to Prof Saiful Islam, [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 here:

Anticipated start date: 28 September 2020.

Note: Applications may close earlier than the advertised deadline if a suitable candidate is found; therefore, early application is strongly recommended.

Funding Notes

Research Council funding is available for an excellent UK or EU student who has been ordinarily resident in the UK since September 2017. For more information on eligibility:

Funding will cover UK/EU tuition fees, maintenance at the UKRI doctoral stipend rate (£15,285 per annum tax-free in 2020/21, increasing annually in line with the GDP inflator) and a training support grant (£1,000 per annum) for a period of up to 3.5 years.

We also welcome all-year-round applications from self-funded candidates and candidates who can source their own funding.


[1] C. Eames et al., Nature Commun. 6, 7497 (2015);
[2] T. Fampriskis et al., Nature Mater., 18, 1278 (2019);
[3] N. Aristidou et al., Nature Commun.,8, 15218 (2017).

Research group website:

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)

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