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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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Publicado en:Sci Rep
Main Authors: Vásquez, G. Cristian, Maestre, David, Cremades, Ana, Ramírez-Castellanos, Julio, Magnano, Elena, Nappini, Silvia, Karazhanov, Smagul Zh.
Formato: Artigo
Idioma:Inglês
Publicado: Nature Publishing Group UK 2018
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5992178/
https://ncbi.nlm.nih.gov/pubmed/29880895
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-26728-3
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