Calculation of Mechanical Properties, Electronic Structure and Optical Properties of CsPbX(3) (X = F, Cl, Br, I)

We utilized a first-principle density functional theory for a comprehensive analysis of CsPbX(3) (X = F, Cl, Br, I) to explore its physical and chemical properties, including its mechanical behavior, electronic structure and optical properties. Calculations show that all four materials have good sta...

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Detalles Bibliográficos
Autores principales: Liu, Yang, Fang, Canxiang, Lin, Shihe, Liu, Gaihui, Zhang, Bohang, Shi, Huihui, Dong, Nan, Yang, Nengxun, Zhang, Fuchun, Guo, Xiang, Liu, Xinghui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673478/
https://www.ncbi.nlm.nih.gov/pubmed/38005365
http://dx.doi.org/10.3390/molecules28227643

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