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Modeling Grain Boundaries in Polycrystalline Halide Perovskite Solar Cells
- Ji-Sang Park1, and Aron Walsh2,3
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View Affiliations Hide AffiliationsAffiliations: 1Department of Physics, Kyungpook National University, Daegu 41566 Korea; email: [email protected] 2Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom; email: [email protected] 3Department of Materials Science and Engineering, Yonsei University, Seoul 03722, Republic of Korea
- Vol. 12:95-109 (Volume publication date March 2021) https://doi.org/10.1146/annurev-conmatphys-042020-025347
- First published as a Review in Advance on November 18, 2020
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Copyright © 2021 by Annual Reviews. All rights reserved
Abstract
Solar cells are semiconductor devices that generate electricity through charge generation upon illumination. For optimal device efficiency, the photogenerated carriers must reach the electrical contact layers before they recombine. A deep understanding of the recombination process and transport behavior is essential to design better devices. Halide perovskite solar cells are commonly made of a polycrystalline absorber layer, but there is no consensus on the nature and role of grain boundaries. This review concerns theoretical approaches for the investigation of extended defects. We introduce recent computational studies on grain boundaries, and their influence on point-defect distributions, in halide perovskite solar cells. We conclude with a discussion of future research directions.
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