Understanding the effects of Cr doping in rutile TiO2 by DFT calculations and X-ray spectroscopy

Abstract The effects of Cr on local environment and electronic structure of rutile TiO2 are studied combining theoretical and experimental approaches. Neutral and negatively charged substitutional Cr impurities CrTi 0 and CrTi 1− as well as Cr-oxygen vacancy complex 2CrTi + VO are studied by the den...

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Autores principales: G. Cristian Vásquez, David Maestre, Ana Cremades, Julio Ramírez-Castellanos, Elena Magnano, Silvia Nappini, Smagul Zh. Karazhanov
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2018
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Acceso en línea:https://doaj.org/article/d3de0dcd1d314bc791a3f9a507beeab2
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