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

Rumaiz, Abdul K.; Woicik, J. C.; Cockayne, E.; Lin, H. Y.; Jaffari, G. Hassnain; Shah, S. I.
December 2009
Applied Physics Letters;12/28/2009, Vol. 95 Issue 26, p262111
Academic Journal
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.


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