Methanol synthesis on ZnO(0001¯). IV. Reaction mechanisms and electronic structure

Journal of Chemical Physics

Volumn 141, Issue 12, 2014, Pages

  Frenzel, Johannes ^a   Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; ELECTRONIC STRUCTURE; FREE ENERGY; GASES; II-VI SEMICONDUCTORS; METHANOL; MOLECULAR DYNAMICS; OXIDE MINERALS; REACTION KINETICS; REDUCTION; SYNTHESIS GAS MANUFACTURE; ZINC OXIDE;

AB INITIO SIMULATIONS; ADSORPTION AND DESORPTIONS; ELEY-RIDEAL MECHANISM; FREE ENERGY LANDSCAPE; HETEROGENEOUS CATALYST; HIGH TEMPERATURES AND HIGH PRESSURES; MOLECULAR DYNAMICS TECHNIQUES; SURFACE CHEMICAL REACTIONS;

SURFACE REACTIONS;

EID: 84907482457     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4896053     Document Type: Article

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