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Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites**
Hybrid halide perovskites such as methylammonium lead iodide (CH(3)NH(3)PbI(3)) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of i...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
WILEY-VCH Verlag
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4344816/ https://www.ncbi.nlm.nih.gov/pubmed/25504875 http://dx.doi.org/10.1002/anie.201409740 |
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author | Walsh, Aron Scanlon, David O Chen, Shiyou Gong, X G Wei, Su-Huai |
author_facet | Walsh, Aron Scanlon, David O Chen, Shiyou Gong, X G Wei, Su-Huai |
author_sort | Walsh, Aron |
collection | PubMed |
description | Hybrid halide perovskites such as methylammonium lead iodide (CH(3)NH(3)PbI(3)) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. This behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance. |
format | Online Article Text |
id | pubmed-4344816 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | WILEY-VCH Verlag |
record_format | MEDLINE/PubMed |
spelling | pubmed-43448162015-03-04 Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** Walsh, Aron Scanlon, David O Chen, Shiyou Gong, X G Wei, Su-Huai Angew Chem Int Ed Engl Communications Hybrid halide perovskites such as methylammonium lead iodide (CH(3)NH(3)PbI(3)) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. This behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance. WILEY-VCH Verlag 2015-02-02 2014-12-11 /pmc/articles/PMC4344816/ /pubmed/25504875 http://dx.doi.org/10.1002/anie.201409740 Text en © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. http://creativecommons.org/licenses/by/4.0/ This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Communications Walsh, Aron Scanlon, David O Chen, Shiyou Gong, X G Wei, Su-Huai Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title | Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title_full | Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title_fullStr | Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title_full_unstemmed | Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title_short | Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites** |
title_sort | self-regulation mechanism for charged point defects in hybrid halide perovskites** |
topic | Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4344816/ https://www.ncbi.nlm.nih.gov/pubmed/25504875 http://dx.doi.org/10.1002/anie.201409740 |
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