Probing Electrochemical Interface in CO2 reduction by Operando Computation

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This project aims to explore the structure and dynamics of electrochemical interfaces using operando computational techniques, reveal the influence of catalyst structure and electrolyte environment on catalytic performance, and propose effective design strategies to facilitate the conversion of CO2 to high value-added fuels and chemicals. Innovations are expected in the new mechanism and rational design of electrocatalysts. Expected outcomes include the discovery of new mechanisms at the electrochemical interface, the effect of local environmental changes on catalytic performance, and effective strategies for C2+ product. Benefits include a sustainable future for Australia with decreased CO2 emissions and increased green-fuel production.