In situ formation of pseudohalide anions induced by humid air and light passivates formamidinium‐based halide perovskites

Ye, Jiselle Y.; Kerner, Ross A.; Jiang, Qi; Yang, Fengjiu; Yang, Jonghee; Ahmadi, Mahshid; Harvey, Steven P.; Steirer, Kenneth X.; Kuciauskas, Darius; Berry, Joseph J.; Zhu, Kai

doi:10.1002/inf2.12643

Title: In situ formation of pseudohalide anions induced by humid air and light passivates formamidinium‐based halide perovskites

Journal Article · 14 November 2024 · InfoMat

DOI: https://doi.org/10.1002/inf2.12643 · OSTI ID:2477476

Ye, Jiselle Y. ^[1]; Kerner, Ross A. ^[2]; Jiang, Qi ^[2]; Yang, Fengjiu ^[2]; Yang, Jonghee ^[3]; Ahmadi, Mahshid ^[4]; Harvey, Steven P. ^[2]; Steirer, Kenneth X. ^[5]; Kuciauskas, Darius ^[2]; Berry, Joseph J. ^[6];

^[2]

Chemistry and Nanoscience Center National Renewable Energy Laboratory Golden Colorado USA, Materials Science Program, Department of Physics Colorado School of Mines Golden Colorado USA
Chemistry and Nanoscience Center National Renewable Energy Laboratory Golden Colorado USA
Institute for Advanced Materials and Manufacturing, Department of Materials Science and Engineering University of Tennessee Knoxville Tennessee USA, Department of Chemistry Yonsei University Seoul Republic of Korea
Institute for Advanced Materials and Manufacturing, Department of Materials Science and Engineering University of Tennessee Knoxville Tennessee USA
Materials Science Program, Department of Physics Colorado School of Mines Golden Colorado USA
National Renewable Energy Laboratory Golden Colorado USA, Department of Physics University of Colorado Boulder Boulder Colorado USA, Renewable and Sustainable Energy Institute University of Colorado Boulder Boulder Colorado USA

Abstract Metal halide perovskites based on formamidinium (FA), or FA‐rich compositions have shown great promise for high‐performance photovoltaics. A deeper understanding of the impact of ambient conditions (e.g., moisture, oxygen, and illumination) on the possible reactions of FA‐based perovskite films and their processing sensitivities has become critical for further advances toward commercialization. Herein, we investigate reactions that take place on the surface of the FA _0.7 Cs _0.3 , mixed Br/I wide bandgap perovskite thin films in the presence of humid air and ambient illumination. The treatment forms a surface layer containing O, OH, and N‐based anions. We propose the latter originates from formamidine trapped at the perovskite/oxide interface reacting further to cyanide and/or formamidinate—an understudied class of pseudohalides that bind to Pb. Optimized treatment conditions improve photoluminescence quantum yield owing to both reduced surface recombination velocity and increased bulk carrier lifetime. The corresponding perovskite solar cells also exhibit improved performance. Identifying these reactions opens possibilities for better utilizing cyanide and amidinate ligands, species that may be expected during vapor processing of FA‐based perovskites. Our work also provides new insights into the self‐healing or self‐passivating of MA‐free perovskite compositions where FA and iodide damage could be partially offset by advantageous reaction byproducts. image

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 2477476

Report Number(s):: NREL/JA--5900-91870; e12643

Journal Information:: InfoMat, Journal Name: InfoMat Journal Issue: 2 Vol. 7; ISSN 2567-3165

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: China

Language:: English

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Related Subjects

14 SOLAR ENERGY
formamidinium
perovskite
perovskite solar cells
pseudohalide
surface reaction

Title: In situ formation of pseudohalide anions induced by humid air and light passivates formamidinium‐based halide perovskites

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