Benchmark thermodynamic analysis of methylammonium lead iodide decomposition from first principles

Hybrid organic–inorganic perovskites (HOIPs) such as methylammonium lead iodide (MAPbI _3 ) are promising candidates for use in photovoltaic cells and other semiconductor applications, but their limited chemical stability poses obstacles to their widespread use. Ab initio modeling of finite-temperat...

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Autores principales:	Douglas Heine, Hui-Chia Yu, Volker Blum
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	IOP Publishing 2023-01-01
Colección:	JPhys Energy
Materias:	perovskites density functional theory thermodynamic stability methylammonium lead iodide
Acceso en línea:	https://doi.org/10.1088/2515-7655/ad139d
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