Author/Authors :
Khalid Alamgir, M National Institute of Vacuum Science and Technology - NCP Complex - Islamabad, Pakistan , Zaka Ansar, M National Institute of Vacuum Science and Technology - NCP Complex - Islamabad, Pakistan , Shoaib, M Department of Physics Kohat University of Science and Technology, Pakistan , Murtaza, G Department of Physics Islamia College University Peshawar, Pakistan , Ahsan Bhatti, Javaid National Institute of Vacuum Science and Technology - NCP Complex - Islamabad, Pakistan , Asghar, Usman University 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 TiO2 was 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
