Binding between carbon and the Au(111) surface and what makes it different from the S-Au(111) bond

Journal of Physical Chemistry C

Volumn 112, Issue 45, 2008, Pages 17611-17617

  De La Llave, Ezequiel ^a   Ricci, Alejandra ^a   Calvo, Ernesto J ^a   Scherlis, Damián A ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION;

AU(111); AU(111) SURFACE; COMPARATIVE STUDIES; CONDUCTING SURFACES; ELECTRON TRANSFER RATES; MOLECULAR LEVELS; NATURAL INTERPRETATIONS; PROJECTED DENSITY OF STATES;

DENSITY FUNCTIONAL THEORY;

EID: 57049186564     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8036395     Document Type: Article

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43. It is not unusual to find the opposite interpretation, i.e., the assumption that the larger the charge transfer, the better the conductivity. This idea should be considered with caution. While it holds if an electric field is applied, it is not necessarily true at zero bias. To the contrary, a big charge transfer is indicative of an ionic bond, in contraposition to metallic behavior.