Probing Electrochemical Interface in CO2 reduction by Operando Computation

本项目旨在利用OPANDO计算技术探索电化学界面的结构和动力学，揭示催化剂结构和电解液环境对催化性能的影响，并提出有效的设计策略，促进二氧化碳转化为高附加值燃料和化学品。期望在电催化剂的新机理和合理设计方面有所创新。预期的结果包括在电化学界面发现新的机理，局部环境变化对催化性能的影响，以及生成C2+的有效策略。好处包括减少二氧化碳排放和增加绿色燃料生产，为澳大利亚创造一个可持续的未来。

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.