DFT study of 1,3-benzenedimethanethiol adsorption on Au(111)

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Abstract

A theoretical study of 1,3-benzenedimethanethiol adsorption on Au(111) planar surface at low coverage is conducted. Several configurations were taken into consideration but all of them had both sulphur atoms deprived of the terminal H atom. Also, the case of gold surface reconstruction was examined and results are reported for a configuration analogous to one proposed for methylthiolate adsorption that has lately gained much consensus, one in which both sulphur atoms are coordinated to a single gold adatom.

Autore Pugliese

Tutti gli autori

  • MAVELLI F.;CIRIACO F.

Titolo volume/Rivista

Non Disponibile

Anno di pubblicazione

2010

ISSN

1546-198X

ISBN

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Numero di citazioni Wos

3

Ultimo Aggiornamento Citazioni

Non Disponibile

Numero di citazioni Scopus

3

Ultimo Aggiornamento Citazioni

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Settori ERC

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Codici ASJC

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