CO adsorption on the Pt(111) surface: A comparison of a gradient corrected functional and a hybrid functional

Surface Science

Volumn 573, Issue 3, 2004, Pages 464-473

  Doll, K ^a  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

Carbon monoxide; Catalysis; Density functional calculations; Platinum; Single crystal surfaces

Indexed keywords

CARBON MONOXIDE; CATALYSIS; EXTRAPOLATION; FERMI LEVEL; INTEGRATION; MATERIALS SCIENCE; MATHEMATICAL MODELS; OPTIMIZATION; PLATINUM; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SURFACES;

ADSORPTION SITES; DENSITY FUNCTIONAL CALCULATIONS; DENSITY FUNCTIONAL ENERGY; SINGLE CRYSTAL SURFACES;

ADSORPTION;

EID: 10044257706     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.10.015     Document Type: Article

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