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Title: Effects of nitrogen-related defects on visible light photocatalytic response in N{sup +} implanted TiO{sub 2}: A first-principles study

It was found that the visible-light responsiveness of a nitrogen ion-implanted TiO{sub 2} photocatalyst was attributable to the predominant chemical states of nitrogen, depending on the local nitrogen concentration near the surface. In the present study, we examined the effects of conceivable nitrogen-related defects on the visible light responsiveness, based on electronic structures calculated from first principles. Possible chemical states were proposed by comparing previously reported experiments with the present theoretical N-K X-ray absorption spectra. The theoretically predicted visible light absorption spectra and carrier trap states due to the bandgap states associated with the defects well explained the relationship between the catalytic reactivity and the proposed chemical states.
Authors:
 [1] ; ; ;  [2]
  1. Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)
  2. EcoTopia Science Institute, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)
Publication Date:
OSTI Identifier:
22489514
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 118; Journal Issue: 11; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ABSORPTION SPECTRA; CARRIERS; ELECTRONIC STRUCTURE; NITROGEN IONS; PHOTOCATALYSIS; TITANIUM OXIDES; TRAPS; VISIBLE RADIATION; X-RAY SPECTRA