Cobalt catalyzed Fischer-Tropsch synthesis: Perspectives opened by first principles calculations

Catalysis Letters

Volumn 143, Issue 1, 2013, Pages 1-17

  Corral Valero, Manuel ^a   Raybaud, Pascal ^a  

^a IFP ENERGIES NOUVELLES   (France)

Author keywords

Ab initio; Carbonation; Deactivation; Density functional theory; Fischer Tropsch; Reaction mechanism; Surface reconstruction

Indexed keywords

AB INITIO; ACTIVE SITE; BIBLIOGRAPHIC ANALYSIS; CATALYST STRUCTURES; CO DISSOCIATIONS; COBALT-BASED; DEACTIVATION; DEACTIVATION PATHWAYS; DEACTIVATION PROCESS; DENSITY FUNCTIONAL THEORIES (DFT); DFT STUDY; ELEMENTARY STEPS; EMPIRICAL CONCEPTS; FIRST-PRINCIPLES CALCULATION; FISCHER TROPSCH; FT SYNTHESIS; INSERTION MECHANISM; POLYAROMATIC RINGS; REACTION MECHANISM; SCIENTIFIC COMMUNITY; STRUCTURAL REARRANGEMENT; SURFACE CARBIDES; UNSATURATED HYDROCARBONS;

ABSTRACTING; CALCULATIONS; CARBIDES; CARBONATION; CATALYST DEACTIVATION; COBALT; DENSITY FUNCTIONAL THEORY; DISSOCIATION; FISCHER-TROPSCH SYNTHESIS; INDUSTRIAL RESEARCH; MOLECULES; SURFACE RECONSTRUCTION;

CATALYST SELECTIVITY;

EID: 84872605840     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-012-0930-1     Document Type: Review

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