A Monte Carlo simulation for the stripping of the [Square_Root]3×[Square_Root]3 R30° alkanethiol lattice from Au(111) terraces and steps.

Autor: Martin, H., Vericat, C., Andreasen, G., Vela, M. E., Salvarezza, R. C.
Předmět:
Zdroj: Journal of Chemical Physics; 8/1/2002, Vol. 117 Issue 5, p2293, 6p, 3 Black and White Photographs, 1 Diagram, 3 Graphs
Abstrakt: Monte Carlo simulations of a model for the stripping of &3radic × &3radic; R30° alkanethiol lattices from terraces and steps of a (111) metal face in aqueous solutions are presented. In the model the stripping probability of an adsorbed alkanethiolate molecule depends on the applied potential, on intermolecular forces that stabilize the alkanethiol layer, and on the presence of substrate defects. Stabilizing intermolecular forces are also responsible for alkanethiolate aggregate formation during the stripping process. Snapshots and voltammograms derived from the model reproduce experimental STM images and electrochemical data for alkanethiol stripping from the Au(111) surface. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index