Enabling Direct H₂O₂ Production in Acidic Media through Rational Design of Transition Metal Single Atom Catalyst

Hydrogen peroxide is a valuable chemical with extensive applications, but the current industrial production method is energy-intensive and generates substantial waste. The electrochemical oxygen reduction reaction in acidic media offers an attractive route for direct hydrogen peroxide generation and on-site applications. Unfortunately, there is still a lack of cost-effective electrocatalysts with high catalytic performance. Here, by combining theoretical calculations and experimental methods, we demonstrate that an atomically dispersed cobalt anchored in nitrogen-doped carbon can function as a highly active and selective electrocatalyst for direct hydrogen peroxide synthesis. This cobalt single-atom catalyst combines the advantages of both homogeneous catalysts of cobalt macrocycles (well-defined active sites) and heterogeneous metal-nitrogen-carbon catalysts (high catalytic performance) together, showing promising application in electrosynthesis device.