Dynamics of Oxidation of Reduced Forms of CO2 under Electrochemical and Open-Сircuit Conditions on Polycrystalline Pt in H2CO3

The problem of identifying correlations between catalytic and electrocatalytic processes is one the fundamental problems catalysis among “simple” organic substances, oxidation CO rCO2 great interest, since CO2 are considered in pairs both during transformations. In case electrocatalysis, this analysis important study fuel cells. paper, we studied correlation reduced forms (rCO2) under potentiodynamic-galvanoctatic electrochemical open-circuit conditions measurements on polycrystalline (pc)Pt H2CO3. Periodic oscillations revealed at Had (pc)Pt. Quantum chemical calculations were carried out Pt13 cluster order to identify mechanisms reaction. correspondence energy parameters process shown. preliminary system using density functional (DFT) most stable systems that based found, namely rOH-Pt13-(CO)n, rOH-Pt13-(COH) rOH-Pt13-(rCOOH). OH• species was chosen as likely candidate for role oxidant rCO2. Preliminary expected reactions out, optimal PES revealed.