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

Abdul K. Rumaiz; J. C. Woicik; E. Cockayne; H. Y. Lin; G. Hassnain Jaffari; S. Ismat Shah

doi:10.1063/1.3272272

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

Materials Science 2015-05-14 v2 Other Condensed Matter

Authors: Abdul K. Rumaiz , J. C. Woicik , E. Cockayne , H. Y. Lin , G. Hassnain Jaffari , S. Ismat Shah

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Abstract

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.

Keywords

nitrogen doped TiO2 oxygen vacancies HAXPES density functional theory visible light photocatalysis

Cite

@article{arxiv.0911.3455,
  title  = {Oxygen vacancies in N doped TiO2: Experiment and first principle calculations},
  author = {Abdul K. Rumaiz and J. C. Woicik and E. Cockayne and H. Y. Lin and G. Hassnain Jaffari and S. Ismat Shah},
  journal= {arXiv preprint arXiv:0911.3455},
  year   = {2015}
}

Comments

13 pages with 5 figures

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