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DFT Insights into the Role of Relative Positions of Fe and N Dopants on the Structure and Properties of TiO(2)

The location and nature of the doped elements strongly affect the structural, electronic and optical properties of TiO(2). To tailor the band structure and modify the photoelectrochemical properties of TiO(2), a pair of dopants is selected. Fe and N atoms are inserted in the TiO(2) network at substi...

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Detalles Bibliográficos
Autores principales:	Ramin Gul, Sahar, Khan, Matiullah, Yi, Zeng, Wu, Bo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5849010/ https://www.ncbi.nlm.nih.gov/pubmed/29470393 http://dx.doi.org/10.3390/ma11020313

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