TY  - JOUR
AU  - Vásquez, G. C.
AU  - Karazhanov, S. Zh.
AU  - Maestre Varea, David
AU  - Cremades Rodríguez, Ana Isabel
AU  - Piqueras De Noriega, Francisco Javier
AU  - Foss, S. E.
PY  - 2016
DO  - 10.1103/PhysRevB.94.235209
SN  - 2469-9950
UR  - https://hdl.handle.net/20.500.14352/17702
T2  - Physical review B
AB  - The effects of doubly ionized oxygen vacancies [(V_O)ˆ(2+)]on the electronic structure and charge distribution in rutile TiO_2 are studied by combining first-principles calculations based on density functional theory and experimental results from...
LA  - eng
PB  - American Physical Society
KW  - X-ray-absorption
KW  - Initio molecular-dynamics
KW  - Total-energy calculations
KW  - Augmented-wave method
KW  - Titanium-dioxide
KW  - Electron localization
KW  - Basis-set
KW  - Plus U
KW  - Transition
KW  - Density
TI  - Oxygen vacancy related distortions in rutile TiO_2 nanoparticles: a combined experimental and theoretical study
TY  - journal article
VL  - 94
ER  -