We used the Vienna Ab Initio Simulation Package (VASP) to perform DFT and AIMD simulations using the revised Perdew-Burke-Ernzerhof (RPBE) exchange correlation (XC) functional with the D3 dispersion correction scheme , which has been shown to accurately describe metal-water interfaces . A plane-wave cutoff of 400 eV and a Gaussian smearing of width 0.1 eV were used in our simulations. The electronic structure was relaxed until all forces converged to less than 0.05 eV/ Å.