Optimizing the Activation Energy of Reactive Intermediates on Single‐Atom Electrocatalysts: Challenges and Opportunities

Abstract Single‐atom catalysts (SACs) have made great progress in recent years as potential catalysts for energy conversion and storage due to their unique properties, including maximum metal atoms utilization, high‐quality activity, unique defined active sites, and sustained stability. Such advantages of single‐atom catalysts significantly broaden their applications in various energy‐conversion reactions. Given the extensive utilization of single‐atom catalysts, methods and specific examples for improving the performance of single‐atom catalysts in different reaction systems based on the Sabatier principle are highlighted and reactant binding energy volcano relationship curves are derived in non‐homogeneous catalytic systems. The challenges and opportunities for single‐atom catalysts in different reaction systems to improve their performance are also focused upon, including metal selection, coordination environments, and interaction with carriers. Finally, it is expected that this work may provide guidance for the design of high‐performance single‐atom catalysts in different reaction systems and thereby accelerate the rapid development of the targeted reaction.