초록 |
The electrochemical route to produce H2O2 via the oxygen reduction reaction is highly desirable as it can allow on-site productions of the chemical under ambient conditions. However, the efficiency of this process depends greatly on the availability of the cost‐effective catalysts with high activity, selectivity, and stability. In this study, periodic density functional theory calculations are employed to identify the most ideal structure of the single-atom catalyst for the electrochemical reduction of O2 to H2O2, which is then synthesized and tested experimentally to result in the record-high activity of 2.8 mA/cm2 at 0.65 V vs RHE with high selectivity. |