An experimental and first-principles study of the effect of B/N doping in TiO2 thin films for visible light photo-catalysis


UDDIN M. N. , SHIBLY S. U. A. , Ovali R. V. , ISLAM S., MAZUMDER M. M. R. , ISLAM M. S. , ...More

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, vol.254, pp.25-34, 2013 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 254
  • Publication Date: 2013
  • Doi Number: 10.1016/j.jphotochem.2012.12.024
  • Title of Journal : JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
  • Page Numbers: pp.25-34

Abstract

Thin films of TiO2 and boron-nitrogen (B/N) co-doped TiO2 on glass substrates have been prepared by a simple sol-gel dip coating route. Titanium (IV) isopropoxide, boric acid and urea have been used as titanium, boron and nitrogen sources, respectively. The films were characterized by X-ray diffraction, X-ray photo-electron spectroscopy, scanning electron microscopy, Raman spectroscopy and UV-vis spectroscopy. The TiO2 thin films with co-doping of different B/N atomic ratios (0.27-20.89) showed better photo-catalytic degradation ability of methylene blue compared to that of bare-TiO2 under visible light. The TiO2 film doped with the highest atomic concentration of N showed repeatedly the best photocatalytic performance. The high activity of co-doped TiO2 thin films toward organic degradation can be related to the stronger absorption observed in the UV-vis region, red shift in adsorption edges and surface acidity induced by B/N doping. Furthermore, several atomic models for B/N doping have been used to investigate the effect of doping on electronic structure and density of states of TiO2 through ab-initio density functional theory calculations. The computational study suggested a significant narrowing of the band gap due to the formation of midgap states and the shift of Fermi-level for the interstitial N model supporting the experimental results. (C) 2013 Elsevier B.V. All rights reserved.