A first principles study of the hydrogen reaction in alkaline media: OH effect

摘要

The effect of the electrolyte on the hydrogen electrode reaction (HER) has been investi gated. As a starting point, we centered our studies on the Volmer reaction in alkaline media -H_2O + e~-→H_(ad)+OH~- on a Pt(111) surface. The adsorption process of the reaction intermediate H_(ad) was investigated by quantum chemical calculations. Our analysis focused on the interaction of the OH and the H_(ad) with the electronic bands of the metal electrode.