Active sites of Pt surfaces from ab initio cluster model molecular electrostatic potential maps

Electrochimica Acta

Volumn 41, Issue 14 SPEC. ISS., 1996, Pages 2275-2283

  Zurita, S ^a   Rubio, J ^a   Illas, F ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Ab initio; Cluster models; MEP; Platinum surfaces

Indexed keywords

ADSORPTION; CALCULATIONS; CARRIER CONCENTRATION; ELECTRONIC STRUCTURE; ELECTROSTATICS; MATHEMATICAL MODELS; SINGLE CRYSTALS; SURFACES;

ELECTROPHILIC ADSORBATES; ELECTROSTATIC POTENTIAL DISTRIBUTION; HARTREE-FOCK ELECTRON DENSITIES; MOLECULAR ELECTROSTATIC POTENTIAL MAPS; VIBRATIONAL SPECTRA;

PLATINUM;

EID: 0030194159     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/0013-4686(96)00057-6     Document Type: Article

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