Accurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense

The outstanding optoelectronics and photovoltaic properties of metal halide perovskites, including high carrier motilities, low carrier recombination rates, and the tunable spectral absorption range are attributed to the unique electronic properties of these materials. While DFT provides reliable st...

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Detalles Bibliográficos
Autores principales: Tao, Shu Xia, Cao, Xi, Bobbert, Peter A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662598/
https://www.ncbi.nlm.nih.gov/pubmed/29084980
http://dx.doi.org/10.1038/s41598-017-14435-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662598/
https://www.ncbi.nlm.nih.gov/pubmed/29084980
http://dx.doi.org/10.1038/s41598-017-14435-4

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