Crystal and electronic structures of substituted halide perovskites based on density functional calculation and molecular dynamics

Durability of organo-lead halide perovskite are important issue for its practical application in a solar cells. In this study, using density functional theory (DFT) and molecular dynamics, we theoretically investigated a crystal structure, electronic structure, and ionic diffusivity of the partially...

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Detalles Bibliográficos
Autores principales: Takaba, Hiromitsu, Kimura, Shou, Alam, Md. Khorshed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: North Holland Publishing 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364368/
https://www.ncbi.nlm.nih.gov/pubmed/28366974
http://dx.doi.org/10.1016/j.chemphys.2016.12.007

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364368/
https://www.ncbi.nlm.nih.gov/pubmed/28366974
http://dx.doi.org/10.1016/j.chemphys.2016.12.007

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