Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Ferrighi, Lara ^a   Madsen, Georg K H ^a,b   Hammer, Bjørk ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; AROMATIC MOLECULES; AU(111) SURFACES; BONDING REGION; CU SURFACES; EXCHANGE-CORRELATION FUNCTIONALS; KINETIC ENERGY DENSITY; META-GENERALIZED GRADIENT APPROXIMATIONS; MOLECULE SURFACE; NUCLEOBASES; ORBITAL OVERLAP; OXYGEN ATOM; PENTACENES;

AROMATIC COMPOUNDS; BENZENE; DENSITY FUNCTIONAL THEORY; MOLECULES; PRECIOUS METALS;

ADSORPTION;

EID: 80052416405     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624529     Document Type: Article

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