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Methodological Issues in First-Principle Calculations of CH(3)NH(3)PbI(3) Perovskite Surfaces: Quantum Confinement and Thermal Motion

[Image: see text] Characterization and control of surfaces and interfaces are critical for photovoltaic and photocatalytic applications. In this work, we propose CH(3)NH(3)PbI(3) (MAPI) perovskite slab models whose energy levels, free of quantum confinement, explicitly consider the spin–orbit coupli...

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Detalles Bibliográficos
Autores principales:	Lodeiro, Lucas, Barría-Cáceres, Felipe, Jiménez, Karla, Contreras, Renato, Montero-Alejo, Ana L., Menéndez-Proupin, Eduardo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7676347/ https://www.ncbi.nlm.nih.gov/pubmed/33225179 http://dx.doi.org/10.1021/acsomega.0c04420

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