Berlin 2015 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 21: Poster IB (Oxide semiconductors; II-VI and group IV semiconductors; Nanotubes and Buckyballs)

HL 21.24: Poster

Monday, March 16, 2015, 15:00–20:00, Poster B

Simultaneous adsorption of water and molecular oxygen on non-polar ZnO(1010) surface: a microscopic understanding — Delsuz Hassani, Saied Masoumi, •Ebrahim Nadimi, and Faramarz Hossein-Babaei — Faculty of Electrical Engineering, K N Toosi University of Technology, Tehran, Iran

The surface of different metallic oxides such as ZnO, SnO₂ and TiO₂ are widely used in gas sensing applications. Atomic level modeling are widely employed to explain the sensing mechanism at a microscopic level. The present work is an attempt to apply density functional theory to investigate the adsorption of water and oxygen molecules on non-polar ZnO(1010) surface. The focus is on the simultaneous adsorption of two molecules which could shed more light on the oxygen sensing at different humidity levels.