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Suitable Fundamental Properties of Ta(0.75)V(0.25)ON Material for Visible-Light-Driven Photocatalysis: A DFT Study

[Image: see text] By applying calculations based on density functional theory, and on density functional perturbation theory, together with generalized gradient approximation-Perdew–Burke–Emzerho and screened Coulomb hybrid HSE06 functionals, we predict novel and suitable fundamental parameters of t...

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Detalles Bibliográficos
Autores principales:	Harb, Moussab, Cavallo, Luigi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2016
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044673/ https://www.ncbi.nlm.nih.gov/pubmed/30023499 http://dx.doi.org/10.1021/acsomega.6b00250

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