Monte Carlo simulation of the electrodeposition of copper I. Additive-Free acidic sulfate solution

Simulation of copper electrodeposition on an initially flat surface by a classic two-step electron transfer sequence accompanied by surface diffusion was carried out by a three-dimensional (3-D) kinetic Monte Carlo model linked to a 1-D (continuum) finite difference model. The evolution of deposit roughness was simulated numerically and compared, through use of scaling parameters, with experimental data obtained by atomic force microscopy from deposits formed under constant potential in aqueous solutions of 0.5 M Cu₂SO₄ and 1.0 M H₂SO₄. The model was used to carry out parametric investigations on the effect of adsorption, surface diffusion, and lattice incorporation, all of which were found to exert an influence on the evolution of surface roughness.