Lowering energy barriers in surface reactions through concerted reaction mechanisms

ChemPhysChem

Volumn 13, Issue 15, 2012, Pages 3467-3471

  Sakong, Sung ^a   Mosch, Christian ^b   Lozano, Ariel ^c   Busnengo, H Fabio ^c   Groß, Axel ^b  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b UNIVERSITY OF ULM   (Germany)

^c INSTITUTO DE FÍSICA ROSARIO   (Argentina)

Author keywords

density functional calculations; heterogeneous catalysis; hydrocarbons; reaction mechanisms; surface chemistry

Indexed keywords

CALCULATIONS; CATALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; HYDROCARBONS; SURFACE CHEMISTRY;

COMPLEX CHEMICAL REACTIONS; CONCERTED REACTIONS; ELEMENTARY REACTION; FIRST-PRINCIPLES CALCULATION; METHANOL SYNTHESIS; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; RATE-LIMITING STEPS; REACTION MECHANISM;

SURFACE REACTIONS;

EID: 84867556250     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201200526     Document Type: Article

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