Oxygen vacancies in N doped TiO2: Experiment and first principle calculations

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Rumaiz, Abdul K.
Woicik, J. C.
Cockayne, E.
Lin, H. Y.
Jaffari, G. Hassnain
Shah, S. Ismat
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Abstract
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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 (HAXPES) 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.
Comment: 13 pages with 5 figures
Keywords
Condensed Matter - Materials Science, Condensed Matter - Other Condensed Matter
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