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Hybrid Density Functional Theory Study of Native Defects and Nonmetal (C, N, S, and P) Doping in a Bi(2)WO(6) Photocatalyst
[Image: see text] Native defects and nonmetal doping have been shown to be an effective way to optimize the photocatalytic properties of Bi(2)WO(6). However, a detailed understanding of defect physics in Bi(2)WO(6) has been lacking. Here, using the Heyd–Scuseria–Ernzerhof hybrid functional defect ca...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7675596/ https://www.ncbi.nlm.nih.gov/pubmed/33225139 http://dx.doi.org/10.1021/acsomega.0c03685 |