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.
Please cite this item using this persistent URLhttp://hdl.handle.net/11693/13426
Journal of Photochemistry and Photobiology A: Chemistry
- Department of Physics 
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.
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.