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First–Principles Investigation of the Structural, Elastic, Electronic, and Optical Properties of α– and β–SrZrS(3): Implications for Photovoltaic Applications

Transition metal perovskite chalcogenides are attractive solar absorber materials for renewable energy applications. Herein, we present the first–principles screened hybrid density functional theory analyses of the structural, elastic, electronic and optical properties of the two structure modificat...

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Detalles Bibliográficos
Autores principales: Eya, Henry Igwebuike, Ntsoenzok, Esidor, Dzade, Nelson Y.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7079647/
https://www.ncbi.nlm.nih.gov/pubmed/32098231
http://dx.doi.org/10.3390/ma13040978