pH and Anion Effects on Cu-Phosphate Interfaces for CO Electroreduction

Herein, we have investigated the interfacial properties of Cu(111) and Cu(100) in phosphate buffer solutions at different pH conditions and in presence of CO. Ab initio molecular simulations of the Cu-electrolyte interface were combined with voltammetric experiments carried out on Cu(100) and Cu(111) single-crystalline electrodes. We show that the adsorption strength of phosphate species on the different Cu facets affects the potential range at which CO poisons the surface. The properties of the Cu-electrolyte interface controls the potential range for CO reduction on Cu.