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...

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Detalles Bibliográficos
Autores principales: Zhang, Jihua, Deng, Panluo, Deng, Mingsen, Shen, Hujun, Feng, Zhenzhen, Li, Hang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
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

Internet

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

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