Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method

[Image: see text] In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The fundamental understanding of their physicochemical properties is essential for improving their efficie...

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Detalles Bibliográficos
Autores principales: Vicent-Luna, José Manuel, Apergi, Sofia, Tao, Shuxia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479810/
https://www.ncbi.nlm.nih.gov/pubmed/34414764
http://dx.doi.org/10.1021/acs.jcim.1c00432

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479810/
https://www.ncbi.nlm.nih.gov/pubmed/34414764
http://dx.doi.org/10.1021/acs.jcim.1c00432

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