Density functional theory study of the adsorption and desulfurization of thiophene and its hydrogenated derivatives on Pt(111): Implication for the mechanism of hydrodesulfurization over noble metal catalysts

ACS Catalysis

Volumn 1, Issue 11, 2011, Pages 1498-1510

  Zhu, Houyu ^a   Guo, Wenyue ^a   Li, Ming ^a   Zhao, Lianming ^a   Li, Shaoren ^a   Li, Yang ^a   Lu, Xiaoqing ^b   Shan, Honghong ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

C S bond; desulfurization; hydrodesulfurization on Pt(111); hydrogenation; organosulfur compounds; thiophene

Indexed keywords

C ATOMS; C-S BOND; C-S BOND CLEAVAGE; CROSS-BRIDGE; DESULFURIZATION OF THIOPHENE; DIRECT DESULFURIZATION PATHWAY; ELEMENTARY STEPS; HYDROGEN ATOMS; METHYLENE GROUPS; NOBLE METAL CATALYSTS; ORGANOSULFUR COMPOUNDS; PERIODIC DENSITY FUNCTIONAL THEORY; PT ATOMS; PT(111); THERMODYNAMIC AND KINETIC ANALYSIS;

ADSORPTION; ATOMS; CATALYSTS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; HYDRODESULFURIZATION; HYDROGENATION; PRECIOUS METALS; THIOPHENE;

PLATINUM;

EID: 80655138678     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs2002548     Document Type: Article

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