Browsing by Author "61911631-b5c3-455d-b729-b322775a4731"

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Artículo

Methodological Issues in first-principle calculations of CH3NH3PbI3 perovskite surfaces: Quantum confinement ...

Lodeiro, Lucas; Barría Cáceres, Felipe; Jiménez, Karla; Contreras, Renato; Montero Alejo, Ana L.; Menéndez Proupin, Eduardo (Amer Chemical Soc, 2020)

Characterization and control of surfaces and interfaces are critical for photovoltaic and photocatalytic applications. In this work, we propose CH3NH3PbI3 (MAPI) perovskite slab models whose energy levels, free of quantum ...
Artículo

Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of ...

Montero Alejo, Ana; Menéndez Proupin, Eduardo; Hidalgo Rojas, D.; Palacios, P.; Wahnón, P.; Conesa, J. C. (Amer Chemical Society, 2016)

Hybrid organic-inorganic perovskites are semiconductors with disordered structures and remarkable properties for photovoltaic applications. Many theoretical investigations have attempted to obtain structural models of the ...