Dresden 2017 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 84: Focus Session: Semiconductor Materials and Nanostructure for Photocatalysis
O 84.2: Vortrag
Donnerstag, 23. März 2017, 10:00–10:15, POT 51
Tuning the electronic structure of Nb3O7(OH) by titanium doping for enhanced light-induced water splitting — Wilayat Khan1, •S. Betzler2, O. Sipr3, Ch. Scheu4, and J. Minar5 — 1New Technologies-Research Center, University of West Bohemia, Univerzitní 8, 306 14 Plzen, Czech Republic — 2Department of Chemistry and Center for NanoScience, LMU Munich, Butenandtstraße 11, 81377 Munich, Germany — 3NTC, University of West Bohemia, Plzen, Czech Republic — 4Max-Planck-Institut fur Eisenforschung GmbH, Max-Planck-Straße 1, Du*sseldorf, Germany — 5NTC, University of West Bohemia, Plzen, Czech Republic
Water photolysis is a clean and renewable source for hydrogen fuel and is therefore considered as a potentially important part of the solution of the energy crises. An extensive work has been performed on transition metal oxides semiconductors like TiO2, WO2 and Fe2O3, which can be used as electrode materials. Recently, Nb3O7(OH) has been proposed as a promising material for this propose due to its stability and suitable band gap [1]. Here we report on the modification of the structure and electronic properties of Nb3O7(OH) due to the Ti doping. Our theoretical study is based on the density functional theory using FP-LAPW method. The Ti-doped Nb3O7(OH) showed a direct band gap at the G point in the calculated band structures. In addition, Ti doping modifies the optical properties of the host material in a desirable way. Theoretical study is accompanied by a corresponding detailed experimental EELS study. [1] W. Khan et. al., J. Phys. Chem. C, 2016, 120 (41), 23329-23338