Tailoring the Energy Band Gap of Transition Metal Doped TiO2 Thin Film

Alamgir, M. Khalid; Ansar, M. Zaka; Shoaib, M.; Murtaza, G.; Ahsan Bhatti, Javaid; Asghar, Usman

doi:10.22034/jna.2014.03.004

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	Tailoring the Energy Band Gap of Transition Metal Doped TiO2 Thin Film
Article 4, Volume 1, Issue 3, Autumn 2014, Page 129-134 PDF (613.06 K)
DOI: 10.22034/jna.2014.03.004
Authors
M. Khalid Alamgir¹; M. Zaka Ansar^* ¹; M. Shoaib²; G. Murtaza³; Javaid Ahsan Bhatti¹; Usman Asghar⁴
¹National Institute of Vacuum Science and Technology, NCP Complex, Islamabad, Pakistan
²Department of Physics Kohat University of Science and Technology, Pakistan
³Department of Physics Islamia College, University Peshawar, Pakistan
⁴University of the Punjab, Lahore, Pakistan
Abstract
Water splitting for hydrogen production under sunlight using TiO₂ as photo catalyst provides a better route for solar energy and attracts the attention of many researchers. The photo catalytic activity of TiO₂ under sunlight irradiation depends on the band gap energy. The transition metal doped TiO₂ shows an edge over TiO₂ in optical absorbance and photo catalytic activity. Thin film of Cr doped TiO₂was deposited by Electron beam evaporation deposition process on glass substrate, the band gap of sample was measured with UV-Vis spectroscopy. In order to provide theoretical ground to our experimental band gap results the first principle (ab-initio) calculation was performed using the computer code WIEN2K with Full Potential Linearized Augmented Plane Wave method (FP-LAPW) based on the density functional theory (DFT).
Keywords
photo-catalyst; UV-Vis spectroscopy; WIEN2K; FP-LAPW; DFT


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