Understanding the effects of Cr doping in rutile TiO(2) by DFT calculations and X-ray spectroscopy

The effects of Cr on local environment and electronic structure of rutile TiO(2) are studied combining theoretical and experimental approaches. Neutral and negatively charged substitutional Cr impurities Cr(Ti)(0) and Cr(Ti)(1−) as well as Cr-oxygen vacancy complex 2Cr(Ti) + V(O) are studied by the...

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Detalles Bibliográficos
Autores principales: Vásquez, G. Cristian, Maestre, David, Cremades, Ana, Ramírez-Castellanos, Julio, Magnano, Elena, Nappini, Silvia, Karazhanov, Smagul Zh.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5992178/
https://www.ncbi.nlm.nih.gov/pubmed/29880895
http://dx.doi.org/10.1038/s41598-018-26728-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5992178/
https://www.ncbi.nlm.nih.gov/pubmed/29880895
http://dx.doi.org/10.1038/s41598-018-26728-3

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