Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Walsh, Aron, Scanlon, David O, Chen, Shiyou, Gong, X G, Wei, Su-Huai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: WILEY-VCH Verlag 2015
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
_version_ 1782359494021349376
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
work_keys_str_mv AT walsharon selfregulationmechanismforchargedpointdefectsinhybridhalideperovskites
AT scanlondavido selfregulationmechanismforchargedpointdefectsinhybridhalideperovskites
AT chenshiyou selfregulationmechanismforchargedpointdefectsinhybridhalideperovskites
AT gongxg selfregulationmechanismforchargedpointdefectsinhybridhalideperovskites
AT weisuhuai selfregulationmechanismforchargedpointdefectsinhybridhalideperovskites