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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 (...

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Detalles Bibliográficos
Autores principales: R Remesal, Elena, Morales-García, Ángel, Illas, Francesc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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