Analysis of the bonding mechanism of benzene on Cu(110), Cu(111), Pd(111) and the effect of coadsorbed Cl atoms

Surface Science

Volumn 365, Issue 2, 1996, Pages 297-309

  Lomas, Julian R ^a,b   Pacchioni, Gianfranco ^a  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ab initio quantum chemical methods and calculations; Aromatics; Chemisorption; Chlorine; Clusters; Copper; Low index single crystal surfaces; Palladium

Indexed keywords

ADSORPTION; ATOMS; BENZENE; BOND STRENGTH (CHEMICAL); CHARGE TRANSFER; CHEMICAL BONDS; CHEMISORPTION; CHLORINE; COPPER; ELECTROSTATICS; FERMI LEVEL; PALLADIUM;

AB INITIO CLUSTER MODEL WAVEFUNCTIONS; SURFACE DIPOLE LAYER;

SURFACES;

EID: 0030244198     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00705-4     Document Type: Article

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