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Computational Modelling of Charge-Transfer Interfaces for Perovskite Solar Cells

Project Description

Solar cells have the potential to provide us with renewable energy and to help us avoid environmental problems associated with fossil fuels. Perovskites (organic-inorganic lead-halides) have emerged as highly promising solar cell materials: their efficiencies have grown rapidly and are already comparable to commercial silicon solar cells, at a much lower cost. For perovskite solar cells to become commercially viable technologies, they need to fulfil the requirements of consistently high efficiency and stability.

In particular, efficiency of these solar cells depends on the generation of electric charges (electrons and holes) and separation of these charges – transfer of the charges from the perovskites to electron- or hole-transporting materials. This project will investigate the properties of the interfaces between perovskites and various electron- or hole-transporting materials (metal oxides, polymers, fullerenes) using theoretical modelling (density-functional theory calculations), in order to characterise the structures, stabilities and charge transfer efficiencies at these interfaces.

Funding Notes

This is a self-funded project.

If you have the correct qualifications and access to your own funding, either from your home country or your own finances, your application to work on this project will be considered.

The applicant should have, or expect to gain, at least an upper second class degree or equivalent overseas qualification in Chemistry, Physics or Materials Science. Experience in computational modelling is essential.

Related Subjects

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