Molecular dynamics simulations of surface oxide-water interactions on Pt(111) and Pt/PtCo/Pt3Co(111).

Classical molecular dynamics simulations of the interactions of water with oxidized Pt(111) and Pt/PtCo/Pt(3)Co(111) surfaces are performed by modeling water with the CF1 central force model that allows molecular dissociation and therefore the presence of other intermediates of the oxygen reduction reaction different from atomic oxygen. It is found that the… CONTINUE READING