A density functional theory study of the hydrogenolysis and elimination reactions of C2H5SH on the catalytically active (100) edge of 2H-MoS2

Journal of Catalysis

Volumn 246, Issue 1, 2007, Pages 109-117

  Todorova, Teodora ^a   Prins, Roel ^a   Weber, Thomas ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

C single bond S bond breaking; Density functional theory; Elimination; Hydrodesulfurization; Hydrogenolysis; Molybdenum disulfide; Sulfide catalysis

Indexed keywords

ADSORPTION; CATALYST ACTIVITY; CHEMICAL BONDS; CRYSTALLINE MATERIALS; DESULFURIZATION; ETHANE; MOLYBDENUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

BOND BREAKING; ELIMINATION REACTIONS; HYDRODESULFURIZATION; HYDROGENOLYSIS; MOLYBDENUM DISULFIDE; SULFIDE CATALYSIS;

SULFUR COMPOUNDS;

EID: 33846262821     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2006.11.023     Document Type: Article

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