CO adsorption on Cu(1 1 1) and Cu(0 0 1) surfaces: Improving site preference in DFT calculations

Surface Science

Volumn 590, Issue 2-3, 2005, Pages 117-126

  Gajdoš, Marek ^a   Hafner, Jürgen ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Carbon monoxide; Chemisorption; Density functional theory

Indexed keywords

APPROXIMATION THEORY; CARBON MONOXIDE; COMPLEXATION; COPPER; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SUBSTRATES; SURFACES;

ADSORBATE-SUBSTRATE; SURFACE SCIENCE; VIBRATIONAL PROPERTIES;

GAS ABSORPTION;

EID: 23944443716     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.04.047     Document Type: Article

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