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Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation
As the core functional layer of perovskite solar cells, the serious issues of the CH(3)NH(3)PbI(3) film related to the long-term stability and its rapid degradation when exposed to the environment should be investigated deeply. In this study, the variation of phase construction, light absorption abi...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9667950/ https://www.ncbi.nlm.nih.gov/pubmed/36425187 http://dx.doi.org/10.1039/d2ra05378k |
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author | Li, Yan Dong, Yu-Jing He, Hong Chen, Xue-Lian Jiang, Hao Jia, Yu |
author_facet | Li, Yan Dong, Yu-Jing He, Hong Chen, Xue-Lian Jiang, Hao Jia, Yu |
author_sort | Li, Yan |
collection | PubMed |
description | As the core functional layer of perovskite solar cells, the serious issues of the CH(3)NH(3)PbI(3) film related to the long-term stability and its rapid degradation when exposed to the environment should be investigated deeply. In this study, the variation of phase construction, light absorption ability and fluorescence quenching ability during the long time aging process have been monitored. The results show that the degradation process is composed of the original serious fluorescence quenching and the lag behind phase decomposition. Then, the intrinsic physical mechanism has been obtained by the first-principles simulation of defect properties, which shows that the original serious fluorescence emission quenching is attributed to the deep level defects with low formation energies (such as V(Pb) and I(Pb)); meanwhile, the lag behind phase decomposition is caused by the easy ionic diffusion; for example, the diffusion activation energy of the iodine ion is 0.286 eV. The results illustrate that both the defect passivation and prevention of the ion diffusion are necessary for achieving a stable perovskite film. |
format | Online Article Text |
id | pubmed-9667950 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-96679502022-11-23 Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation Li, Yan Dong, Yu-Jing He, Hong Chen, Xue-Lian Jiang, Hao Jia, Yu RSC Adv Chemistry As the core functional layer of perovskite solar cells, the serious issues of the CH(3)NH(3)PbI(3) film related to the long-term stability and its rapid degradation when exposed to the environment should be investigated deeply. In this study, the variation of phase construction, light absorption ability and fluorescence quenching ability during the long time aging process have been monitored. The results show that the degradation process is composed of the original serious fluorescence quenching and the lag behind phase decomposition. Then, the intrinsic physical mechanism has been obtained by the first-principles simulation of defect properties, which shows that the original serious fluorescence emission quenching is attributed to the deep level defects with low formation energies (such as V(Pb) and I(Pb)); meanwhile, the lag behind phase decomposition is caused by the easy ionic diffusion; for example, the diffusion activation energy of the iodine ion is 0.286 eV. The results illustrate that both the defect passivation and prevention of the ion diffusion are necessary for achieving a stable perovskite film. The Royal Society of Chemistry 2022-11-16 /pmc/articles/PMC9667950/ /pubmed/36425187 http://dx.doi.org/10.1039/d2ra05378k Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Li, Yan Dong, Yu-Jing He, Hong Chen, Xue-Lian Jiang, Hao Jia, Yu Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title | Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title_full | Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title_fullStr | Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title_full_unstemmed | Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title_short | Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation |
title_sort | study on the long time aging behavior of mapbi(3): from experiment to first-principles simulation |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9667950/ https://www.ncbi.nlm.nih.gov/pubmed/36425187 http://dx.doi.org/10.1039/d2ra05378k |
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