An Experimental and first-principles study of the effect of B/N doping in TiO2 thin films for visible light photo-catalysis
Md. N. Uddin
Shibly, S. U. A.
Mazumder, Md. M. R.
Islam, Md. S.
Uddin, M. J.
Journal of Photochemistry and Photobiology A: Chemistry
Uddin, M. N., Shibly, S. U. A., Ovali, R., Islam, S., Mazumder, M. M. R., Islam, M. S., ... & Bengu, E. (2013). An experimental and first-principles study of the effect of B/N doping in TiO 2 thin films for visible light photo-catalysis. Journal of Photochemistry and Photobiology A: Chemistry, 254, 25-34.
Please cite this item using this persistent URLhttp://hdl.handle.net/11693/13426
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.
- Department of Physics