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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...

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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
Descripción
Sumario: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.