Modelling interfaces in thin-film photovoltaic devices

Jones, Michael, Dawson, James A., Campbell, Stephen, Barrioz, Vincent, Whalley, Lucy and Qu, Yongtao (2022) Modelling interfaces in thin-film photovoltaic devices. Frontiers in Chemistry, 10. p. 920676. ISSN 2296-2646

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Developing effective device architectures for energy technologies---such as solar cells, rechargeable batteries or fuel cells---does not only depend on the performance of a single material, but on the performance of multiple materials interfaced together. A key part of this is understanding the behaviour at the interfaces between these materials. In the context of a solar cell, efficient charge transport across the interface is a pre-requisite for devices with high conversion efficiencies.There are several methods that can be used to simulate interfaces, each with an in-built set of approximations, limitations and length-scales. These methods range from those that consider only composition e.g. data-driven approaches) to continuum device models e.g. drift-diffusion models using the Poisson equation) and ab-initio atomistic models e.g. density functional theory). Here is an introduction to interface models at various levels of theory, highlighting the capabilities and limitations of each. In addition, a discussion of several of the various physical and chemical processes at a heterojunction interface, highlighting the complex nature of the problem and the challenges it presents for theory and simulation.

Item Type: Article
Additional Information: Funding information: MJ acknowledges support from the United Kingdom Engineering and Physical Sciences Research Council (EPSRC) CDT in Renewable Energy Northeast Uni-versities (ReNU) for funding through EPSRC grant EP/S023836/1. This work was supported by the British Council Newton fund institutional links grant No. 623804307. The authors acknowledge the EPSRC Centre for Doctoral Training in Renewable Energy Northeast Universities (ReNU) for funding through grant EP/S023836/1. The authors also appreciate the support from British Council Newton Fund Institutional Links Grant in Ultralight Absorber for Remote Energy Source (U-AREs, No. 623804307). JD gratefully acknowledges Newcastle University for funding through a Newcastle Academic Track (NUAcT) Fellowship. LW gratefully acknowledges Northumbria University for funding through a Vice-Chancellor’s Fellowship.
Uncontrolled Keywords: Kesterite Cu 2ZnSnS 4 thin films, CZTSSe, CZTS, interface, modelling, photovoltaic, Thin-film, device
Subjects: F100 Chemistry
Department: Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering
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Depositing User: Elena Carlaw
Date Deposited: 27 May 2022 11:47
Last Modified: 21 Jun 2022 08:19

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