A DFT study of the transition metal promotion effect on ethylene chemisorption on Co(0 0 0 1)

Surface Science

Volumn 603, Issue 17, 2009, Pages 2752-2758

  Cheng, Jun ^a   Hu, P ^a   Ellis, Peter ^b   French, Sam ^b   Kelly, Gordon ^b   Lok, C Martin ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b JOHNSON MATTHEY TECHNOLOGY CENTRE   (United Kingdom)

Author keywords

Chemisorption; Cobalt; Density functional calculations

Indexed keywords

CATALYTIC METALS; CATALYTIC PERFORMANCE; CHARGE DENSITY DISTRIBUTIONS; CHEMISORPTION ENERGY; DENSITY FUNCTIONAL CALCULATIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; DFT STUDY; GENERAL TRENDS; LATE TRANSITION METALS; PROMOTION EFFECTS;

CATALYST ACTIVITY; CHEMISORPTION; COBALT; ELECTRONIC STRUCTURE; ETHYLENE; FISCHER-TROPSCH SYNTHESIS; IRIDIUM; MANGANESE; MANGANESE COMPOUNDS; METALS; PALLADIUM; PLATINUM; PROBABILITY DENSITY FUNCTION; RHODIUM; SILVER; SULFUR COMPOUNDS; ZIRCONIUM;

DENSITY FUNCTIONAL THEORY;

EID: 68949083485     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.07.012     Document Type: Article

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