Kinetic Monte Carlo Approach to the Effects of Additives in Electrodeposition

The effects of additives in copper electrodeposition have been studied by using the multi-scale kinetic Monte Carlo simulation. Recently we have extended the solid-by-solid model for crystal growth to a multiple scale model for the simulation of the copper deposition from electrolytic solution. The system consists of the electrode, the solution and the diffusion layer. The solution contains copper ions and the model additives of chloride ions, polyethylene glycol (PEG) and bis(3-sulfopropyl) disulfide (SPS). We have performed the simulations of copper deposition with different combinations of the additives and studied the surface morphology. The suppressing effect of PEG and the accelerating effect of SPS have been confirmed.