Modification of the platinum electrode oxidized surface with various additives: A quantum chemical study

The modification of the oxidized surface of platinum electrodes by various admixtures is studied in the carbonate-berate electrolyte using quantum chemical modeling. Sulfur is shown to interact with platinum via a bridging oxygen atom forming no covalent bond with the metal. When thiocyanate ions are used as the modifying additive, the amount of nitrogen accumulated in the electrode surface layers is higher than that observed when ammonium ions are added in the electrolyte. The rationale for this phenomenon is given.