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DPG

Berlin 2015 – wissenschaftliches Programm

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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

Montag, 16. März 2015, 15:00–20:00, Poster B

Simultaneous adsorption of water and molecular oxygen on non-polar ZnO(1010) surface: a microscopic understandingDelsuz 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.

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