TY  - JOUR
AU  - Vásquez, G. C.
AU  - Maestre Varea, David
AU  - Cremades Rodríguez, Ana Isabel
AU  - Ramírez Castellanos, Julio
AU  - Magnano, Elena
AU  - Nappini, Silvia
AU  - Karazhanov, Smagul Zh.
PY  - 2018
DO  - 10.1038/s41598-018-26728-3
SN  - 2045-2322
UR  - https://hdl.handle.net/20.500.14352/12182
T2  - Scientific reports
AB  - 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 Cr_(Ti)(0)* and Cr_(Ti)(-1)*  as well as...
LA  - eng
PB  - Nature Publishing Group
KW  - Initio molecular-dynamics
KW  - Total-energy calculations
KW  - Augmented-wave method
KW  - Doped TiO₂
KW  - Titanium-dioxide
KW  - Band-gap
KW  - Photocatalytic properties
KW  - Basis-set
KW  - Transition
KW  - Metals
TI  - Understanding the effects of Cr doping in rutile TiO₂ by DFT calculations and X-ray spectroscopy
TY  - journal article
VL  - 8
ER  -