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Title: Effects of nitrogen incorporation on the electronic structure of rutile- TiO2
Authors: Chai, J.W.
Yang, M. 
Chen, Q.
Pan, J.S.
Zhang, Z.
Feng, Y.P. 
Wang, S.J.
Issue Date: 15-Jan-2011
Citation: Chai, J.W., Yang, M., Chen, Q., Pan, J.S., Zhang, Z., Feng, Y.P., Wang, S.J. (2011-01-15). Effects of nitrogen incorporation on the electronic structure of rutile- TiO2. Journal of Applied Physics 109 (2) : -. ScholarBank@NUS Repository.
Abstract: By direct atomic nitrogen (N) doping, high concentration of N is incorporated into TiO2 and the doping effects are investigated. High resolution x-ray photoelectron spectroscopy core-level spectra indicate N substitution for O and formation of Ti-N bonds. Different Ti valent states are found at different N concentrations. Although the shape of the valence spectra changes significantly up on N doping, the band gap narrowing effect is insignificant. First-principles calculations confirm formation of Ti 3d gap states when N concentration exceeds 1 at. %, which leads to pinging of N 2p states in the band gap. © 2011 American Institute of Physics.
Source Title: Journal of Applied Physics
ISSN: 00218979
DOI: 10.1063/1.3532051
Appears in Collections:Staff Publications

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