The structure of electrodeposits – a computer simulation study

被引：0
作者：
M. Mariscal
E. Leiva
K. Pötting
W. Schmickler
机构：
[1] Universidad Nacional de Cordoba,Unidad de Matematica y Fisica, Facultad de Ciencias Quimicas
[2] INFIQC,Department of Theoretical Chemistry
[3] Universität Ulm,undefined
来源：
Applied Physics A | 2007年 / 87卷
关键词：
Electrode Potential; Scanning Tunneling Microscope; Step Edge; Brownian Dynamic; Embed Atom Method;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
A new method for the study of the molecular dynamics of electrochemical systems is presented, which explicitly contains the electrode potential. It is based on a combination of ordinary molecular dynamics, stochastic dynamics, and a grand-canonical ensemble. The method is tested for the deposition of silver on Au(111), and is found to represent the potential dependence of this process well. Application to the deposition of nickel on Au(111) reveals extensive surface alloying, while during the deposition of nickel on Pt(111) an atomic exchange between the two metals occurs only at step edges.
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页码：385 / 389
页数：4
相关论文
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