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

Journal of Nanoanalysis

مقاله 4، دوره 1، شماره 3، اسفند 2014، صفحه 129-134   

شناسه دیجیتال (DOI): 10.22034/jna.2014.03.004

نویسندگان

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

چکیده

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).

کلیدواژه‌ها

photo-catalyst؛ UV-Vis spectroscopy؛ WIEN2K؛ FP-LAPW؛ DFT