where, E H 2 O (monomer) is the total energy of water monomer on the surface, N is the number of water molecules, E H 2 O (BL) is the energy of water bilayer in the optimized geometry of the Ptbilayer system. Figure shows that all the methods predict a stronger Pt-H2O interaction than the hydrogen bonding within the water bilayer. This hydrophilicity of Pt(111) surface is previously reported both experimentally as well as theoretically. The overestimation of both the H2O-H2O