Optical properties of anatase TiO 2 : synergy between transition metal doping and oxygen vacancies

• Published in: Journal of molecular modeling Vol. 24; no. 10; p. 276
• Main Authors: González-Torres, Julio César, Cipriano, Luis A, Poulain, Enrique, Domínguez-Soria, Víctor, García-Cruz, Raúl, Olvera-Neria, Oscar
• Format: Journal Article
• Language: English
• Published: Germany 07.09.2018
• Subjects: Oxygen vacancies; DFT; Optical response; Anatase TiO2; Transition metal doping

Charge carriers (electrons and holes) are generated on the TiO using UV radiation; this excitation energy can be reduced by modifying the material electronic structure, for example, by doping or creating oxygen vacancies. Here, the electronic structure of a transition metal-doped anatase, bulk and s...