All energies of different Pt(111)/water interface structures were calculated using plane wave DFT as implemented in the Vienna Ab initio Simulation Package (VASP). The projector augmented wave (PAW) potential was used to describe the interactions between core ions and valence electrons. An energy cut-off of 500 eV was used to describe the plane-wave basis set. The exchange-correlation functional was calculated using the Perdew-Burke-Ernzerhof (PBE) version of generalized gradient approximation (GGA). The convergence criteria for electronic self-consistency and geometry optimization were set at 10 -5 eV and 0.05 eV/Å respectively. The Pt(111) surface was modeled by a slab that is 3x3 in-plane with 3 atomic layers. Each layer contains 9 Pt atoms. A vacuum of 25 Å was maintained perpendicular to the slab to avoid the interactions between images created due to periodicity.