Density functional theory investigation of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0)

Surface Science

Volumn 600, Issue 2, 2006, Pages 340-347

  Harrison, M J ^a   Woodruff, D P ^a   Robinson, J ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

Chemisorption; Copper; Cyanide; Density functional calculations; Low index single crystal surfaces; Nickel; Surface structure

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; CHEMISORPTION; COPPER; NICKEL; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SURFACE STRUCTURE;

CYANIDE; LOCAL DENSITY APPROXIMATION; LOW INDEX SINGLE CRYSTAL SURFACES;

NITROGEN COMPOUNDS;

EID: 31144467482     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.10.046     Document Type: Article

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