Multiscale Approach In Electrochemistry: Application To Electrodeposition

We consider an electrosorption kinetics that is controlled by a nucleation and growth process as a result of the attractive interactions between deposited atoms. Modelling is performed on two different scales. We study the atomic scale via Kinetic Monte Carlo simulations. For the mesoscopic scale, we propose a framework that is based on the Cluster Dynamics. Both approaches lead to a quantitative agreement in regard to the evolution of the coverage rate as a function of time. This rescaling requires the detailed morphology of the clusters in the mesoscopic scale to be taken into account. Thus, the number of adsorption and desorption sites owning a given coordination number must be evaluated for each cluster size. For the low sizes, this number of sites can be obtained numerically, and we propose an analytical computation for the large sizes.