Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface

Surface Science

Volumn 604, Issue 19-20, 2010, Pages 1742-1751

  Chuasiripattana, Katawut ^a   Warschkow, Oliver ^a   Delley, Bernard ^b   Stampfl, Cathy ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

Adsorption; Atomic geometry; Density functional theory; Methanol synthesis; Vibrational frequencies; Water gas shift reaction; ZnO(0001) surface

Indexed keywords

ADSORPTION; BINDING ENERGY; BINS; CARBON DIOXIDE; CARBON MONOXIDE; CATALYST ACTIVITY; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; FORMIC ACID; GEOMETRY; METHANOL; MOLECULAR VIBRATIONS; REACTION INTERMEDIATES; SYNTHESIS GAS MANUFACTURE; VIBRATIONAL SPECTRA; ZINC OXIDE;

ATOMIC GEOMETRY; BINDING GEOMETRIES; METHANOL SYNTHESIS; MOLECULAR SPECIES; WATER GAS; WATER GAS SHIFT (WGS) REACTION; ZNO(0001);

WATER GAS SHIFT;

EID: 77958072947     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.06.025     Document Type: Article

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