A Monte Carlo simulation for the stripping of the √3x√3 R30° alkanethiol lattice from Au(111) terraces and steps

被引：5
|
作者：
Martin, H
Vericat, C
Andreasen, G
Vela, ME
Salvarezza, RC
机构：
[1] Natl Univ La Plata, CONICET, Inst Invest Fisicoquim Teor & Aplicadas, RA-1900 La Plata, Argentina
[2] Univ La Laguna, Dept Quim Fis, E-38207 San Cristobal la Laguna, Spain
来源：
JOURNAL OF CHEMICAL PHYSICS | 2002年 / 117卷 / 05期
关键词：
D O I：
10.1063/1.1490922
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Monte Carlo simulations of a model for the stripping of root3xroot3 R30degrees 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. (C) 2002 American Institute of Physics.
引用
收藏
页码：2293 / 2298
页数：6
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