Polymerization at the alkylthiolate-Au(111) interface

Journal of Physical Chemistry B

Volumn 111, Issue 13, 2007, Pages 3325-3327

  Grönbeck, Henrik ^a   Häkkinen, Hannu ^b  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; GOLD; NANOPARTICLES; POLYMERIZATION;

ENERGETIC GAIN; HOMOLEPTIC GOLD-THIOLATE COMPLEXES; TERRACE ADSORPTION;

INTERFACES (MATERIALS);

EID: 34247507658     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0700128     Document Type: Article

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29. 4 support this assumption. The difference in adsorption energy per MeS radical in a tetramer configuration and the polymer in Figure 1 is within 0.03 eV. These calculations were performed in a 3 × 2√3 structure with three special k-points.
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