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Origin of the enhanced photocatalytic activity of (Ni, Se, and B) mono- and co-doped anatase TiO(2) materials under visible light: a hybrid DFT study
The characteristic properties of TiO(2) (anatase) make doping necessary to enhance its photocatalytic activity. Herein, a density functional theory (DFT) study using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional was performed to precisely investigate the effect of mono- and co-doping (Ni, Se a...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058140/ https://www.ncbi.nlm.nih.gov/pubmed/35514890 http://dx.doi.org/10.1039/d0ra07781j |