Adsorption of dibenzothiophene derivatives over a MoS2 nanocluster - A density functional theory study of structure-reactivity relations

Energy and Fuels

Volumn 17, Issue 2, 2003, Pages 387-398

  Yang, H ^a   Fairbridge, Craig ^a   Ring, Zbigniew ^a  

^a NATIONAL CENTRE FOR UPGRADING TECHNOLOGY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; CATALYTIC HYDRODESULFURIZATION; DENSITY FUNCTIONAL THEORY; DIBENZOTHIOPHENE DERIVATIVES; GENERALIZED GRADIENT APPROXIMATION; NANOCLUSTER;

ADSORPTION; APPROXIMATION THEORY; ATOMS; CARRIER CONCENTRATION; CATALYSTS; HYDROGENATION; MOLECULAR STRUCTURE; MOLECULES; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; SURFACES;

MOLYBDENUM COMPOUNDS;

EID: 0037332519     PISSN: 08870624     EISSN: None     Source Type: Journal    
DOI: 10.1021/ef020171k     Document Type: Article

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