A new simulation model for electrochemical metal deposition

W. SCHMICKLER; K. PÖTTING; M. M. MARISCAL

CHEMICAL PHYSICS

Elsevier

Año: 2006 vol. 320 p. 149 - 149

0301-0104

new atomistic simulation model for electrochemical systems is presented. It combines microcanonical molecular dynamics forthe electrode with stochastic dynamics for the solution, and allows the simulation of electrochemical deposition and dissolution forspecific electrode potentials. As first applications the deposition of silver and platinum on Au(111) have been studied; both flatsurfaces and surfaces with islands have been considered. The two systems behave quite differently: Ag on Au(111) grows layerby layer, while Pt forms a surface alloy on Au(111), which is followed by three-dimensional growth.