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dc.contributor.authorUddin, M.N.en_US
dc.contributor.authorShibly, S.U.A.en_US
dc.contributor.authorOvali, R.en_US
dc.contributor.authorSaiful Islam, Mazumder, M.M.R.en_US
dc.contributor.authorIslam, M.S.en_US
dc.contributor.authorUddin, M.J.en_US
dc.contributor.authorGulseren O.en_US
dc.contributor.authorBengu, E.en_US
dc.date.accessioned2016-02-08T09:40:39Z
dc.date.available2016-02-08T09:40:39Z
dc.date.issued2013en_US
dc.identifier.issn10106030en_US
dc.identifier.urihttp://hdl.handle.net/11693/21072
dc.description.abstractThin films of TiO2 and boron-nitrogen (B/N) co-doped TiO 2 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 TiO 2 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 TiO 2 film doped with the highest atomic concentration of N showed repeatedly the best photo-catalytic 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. © 2013 Elsevier B.V.en_US
dc.language.isoEnglishen_US
dc.source.titleJournal of Photochemistry and Photobiology A: Chemistryen_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.jphotochem.2012.12.024en_US
dc.subjectDip coatingen_US
dc.subjectDopingen_US
dc.subjectPhoto-catalysten_US
dc.subjectThin filmen_US
dc.subjectTiO2en_US
dc.titleAn experimental and first-principles study of the effect of B/N doping in TiO2 thin films for visible light photo-catalysisen_US
dc.typeArticleen_US
dc.departmentDepartment of Chemistry, Shahjalal University of Science and Technology, Sylhet-3114, Bangladeshen_US
dc.departmentDepartment of Chemistry, Bilkent University, 06800 Ankara, Turkeyen_US
dc.departmentDepartment of Physics, Bilkent University, 06800 Ankara, Turkeyen_US
dc.departmentHigh-Performance Materials Institute, Florida State University, Tallahassee, FL 32310, United Statesen_US
dc.departmentDepartment of Chemical Engineering and Polymer Science, Sylhet-3114, Bangladeshen_US
dc.citation.spage25en_US
dc.citation.epage34en_US
dc.citation.volumeNumber254en_US
dc.identifier.doi10.1016/j.jphotochem.2012.12.024en_US


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