CO on Pd(110): Determination of the optimal adsorption site

Surface Science

Volumn 360, Issue 1-3, 1996, Pages 31-42

  Ramprasad, R ^a   Glassford, K M ^a,b   Adams, J B ^a   Masel, R I ^b  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Carbon monoxide; Catalysis; Chemisorption; Density functional calculations; Palladium

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; CARBON MONOXIDE; CATALYSIS; COMPUTATIONAL METHODS; CRYSTAL ORIENTATION; ELECTRONIC STRUCTURE; GAS ADSORPTION; MONOLAYERS; PALLADIUM; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE;

LOCAL DENSITY APPROXIMATION; OPTIMAL ADSORPTION SITE; PSEUDO POTENTIAL PLANE WAVE TOTAL ENERGY CALCULATIONS;

CHEMISORPTION;

EID: 0030189026     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00600-0     Document Type: Article

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