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Role of Chemistry and Crystal Structure on the Electronic Defect States in Cs-Based Halide Perovskites

The electronic structure of a series perovskites ABX(3) (A = Cs; B = Ca, Sr, and Ba; X = F, Cl, Br, and I) in the presence and absence of antisite defect X(B) were systematically investigated based on density-functional-theory calculations. Both cubic and orthorhombic perovskites were considered. It...

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Publicado en:Materials (Basel)
Main Authors: Naskar, Anirban, Khanal, Rabi, Choudhury, Samrat
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2021
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7926727/
https://ncbi.nlm.nih.gov/pubmed/33671661
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma14041032
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