A Monte Carlo model for the simulation of the electrodeposition of CoNi alloys onto glassy carbon

Abstract

In this work, a Monte Carlo method for the simulation of the early stages of CoNi electrodeposition is presented. The model was constructed based on previous experimental parameters obtained with Co, Ni and CoNi electrodeposition onto a glassy carbon electrode. The core of the proposed simulation model consists of two Monte Carlo modules. The first one is a lattice grand-canonical Monte Carlo module which intends to calculate the energies of all possible events associated with metal deposition, namely adsorption, desorption and surface diffusion. The second one is a Kinetic Monte Carlo module which associates the previously calculated energies with reaction rates and probabilities of occurrence of the events, being analogous to the temporal evolution of the metallic electrodeposition.