Oxygen vacancies in N doped anatase TiO2: Experiment and first-principles calculations

By A. Rumaiz, J. Woicik, E. Cockayne, H. Lin, G. H. Jaffari, S. Shah. 2009

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We have determined the electronic and atomic structure of N doped TiO2 using a combination of hard x-ray photoelectron spectroscopy and first-principles density functional theory calculations. Our results reveal that N doping of TiO2 leads to the formation of oxygen vacancies and the combination of both N impurity and oxygen vacancies accounts for the observed visible light catalytic behavior of N doped TiO2.

Subfields: Materials Chemistry, Renewable Energy, Sustainability and the Environment, Surfaces, Coatings and Films

View Paper: https://www.semanticscholar.org/paper/1fa57e960f1966bd7d2ee8755488221ca1ccc77f