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Role of N Doping in the Reduction of Titania Nanostructures
[Image: see text] The effect of N-doping of titania (TiO(2)) nanoparticles (NPs) on their reduction through neutral O vacancy (O(vac)) formation is investigated using all electron density functional theory-based calculations, including hybrid density functionals, and taking the bipyramidal anatase (...
Autores principales: | R Remesal, Elena, Morales-García, Ángel, Illas, Francesc |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10578348/ https://www.ncbi.nlm.nih.gov/pubmed/37850083 http://dx.doi.org/10.1021/acs.jpcc.3c04665 |
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