Ab initio calculations of the reaction pathways for methane decomposition over the Cu (111) surface

Journal of Chemical Physics

Volumn 135, Issue 6, 2011, Pages

  Gajewski, Grzegorz ^a   Pao, Chun Wei ^a  

^a RESEARCH CENTER FOR APPLIED SCIENCES   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ACTIVATION BARRIERS; CARBON DIMERS; CATALYTIC DECOMPOSITION; CATALYTIC MATERIALS; CRITICAL STEPS; CU ATOMS; CU SURFACES; CU(1 1 1); DEHYDROGENATION REACTIONS; ELECTRON DENSITIES; GASPHASE; GRAPHENE GROWTH; HIGH TEMPERATURE; METHANE DECOMPOSITION; MINIMUM ENERGY; NUDGED ELASTIC BAND METHODS; REACTION PATHS; REACTION PATHWAYS; TRANSITION STATE;

CHARGE TRANSFER; DEHYDROGENATION; GRAPHENE; ION EXCHANGE; METHANE; REACTION INTERMEDIATES; SURFACES;

CALCULATIONS;

EID: 80051899062     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624524     Document Type: Article

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