For calculations in vacuum and using the solvent models we consider the reactions given in Equation where the O, OH, OOH, and O 2 intermediates are adsorbed on the sites * of the clean Pt(111) surface. Sites are chosen based on their stability from the literature and shown in Figure . For calculations including a static water bilayer, it is assumed that adsorbates bind to the same sites and replace a water molecule in the bilayer as described in the reactions given in Equation .