Multiple Functional Engineering Strategies and Active Site Identification in Ru‐Based Electrocatalysts for Catalytic Conversion Reactions

Abstract Electrochemical conversion has been regarded as an ideal technology for achieving clean and sustainable energy, showing significant promise in addressing the increasingly serious energy crisis and environmental pollution. Ru‐containing electrocatalysts (RUCE) outperform other precious metals due to elevated intrinsic activity and superior cost‐effectiveness, developing into a promising candidate for electrochemical conversion reactions. A significant challenge in the field of catalyst discovery lies in its heavy reliance on empirical methods, rather than approaches that are rooted in rational design principles. This review first concentrates on the catalytically active sites and critical factors governing catalytic activity and performance durability. Then, a comprehensive summary of multifunctional modification strategies ranging from nanoscale to atomic scale is explored to control the structure and improve the performance. By unveiling the roles of each component in the modified RUCE at the atomic level, their intrinsic active sites are identified and discussed to establish the structure‐performance relationship of the catalysts. Finally, the challenges and perspectives of Ru‐based materials for electrochemical hydrogen, oxygen, and nitrogen conversion reactions are presented to inspire further efforts toward understanding RUCE to meet the ever‐growing demand in the future.