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.
DFT study of 1,3-benzenedimethanethiol adsorption on Au(111)
CIRIACO, Fulvio;MAVELLI, Fabio
2010-01-01
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.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
