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Preferred oriented cation configurations in high pressure phases IV and V of methylammonium lead iodide perovskite

A microscopic viewpoint of structure and dipolar configurations in hybrid organic–inorganic perovskites is crucial to understanding their stability and phase transitions. The necessity of incorporating dispersion interactions in the state-of-the-art density functional theory for the [Formula: see te...

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Detalles Bibliográficos
Autores principales: Sukmas, Wiwittawin, Sakulsupich, Vichawan, Tsuppayakorn-aek, Prutthipong, Pinsook, Udomsilp, Pakornchote, Teerachote, Klinkla, Rakchat, Bovornratanaraks, Thiti
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7713306/
https://www.ncbi.nlm.nih.gov/pubmed/33273554
http://dx.doi.org/10.1038/s41598-020-77852-y