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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7926727/ https://www.ncbi.nlm.nih.gov/pubmed/33671661 http://dx.doi.org/10.3390/ma14041032 |