Advanced development of finite element analysis for electrochemical catalytic reactions

Abstract

The development of robust simulation techniques is crucial for elucidating electrochemical catalytic mechanisms and can even provide guidance for the tailored design and regulation of highly efficient catalysts. Finite element analysis (FEA), as a powerful numerical simulation tool, can effectively simulate and analyze the sophisticated processes involved in electrochemical catalytic reactions and unveil the underlying microscopic mechanisms. By employing FEA, researchers can gain better insights into reaction kinetics and transport processes, optimize electrode design, and predict electrochemical performance under various reaction conditions. Consequently, the application of FEA in electrochemical catalytic reactions has emerged as a critical area of current research and a summary of the advanced development of FEA for electrochemical catalytic reactions is urgently required. This review focuses on exploring the applications of FEA in investigating the crystal structure effect, tip effect, multi-shell effect, porous structure effect, and mass transfer phenomena in electrochemical reactions. Particularly emphasized are its applications in the fields of CO₂ reduction, oxygen evolution reaction, and nitrogen reduction reaction. Finally, the challenges encountered by this research field are discussed, along with future directions for further advancement. We aim to provide comprehensive theoretical and practical guidance on FEA methods for researchers in the field of electrochemical catalysis, thereby fostering the advancement and wider implementation of FEA within this domain.