Regulating N Species in N‐Doped Carbon Electro‐Catalysts for High‐Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater

Abstract Electrochemical oxygen reduction reaction (ORR) is an attractive and alternative route for the on‐site production of hydrogen peroxide (H 2 O 2 ). The electrochemical synthesis of H 2 O 2 in neutral electrolyte is in early studying stage and promising in ocean‐energy application. Herein, N‐doped carbon materials (N‐C x ) with different N types are prepared through the pyrolysis of zeolitic imidazolate frameworks. The N‐C x catalysts, especially N‐C 800 , exhibit an attracting 2e − ORR catalytic activity, corresponding to a high H 2 O 2 selectivity (≈95%) and preferable stability in 0.5 m NaCl solution. Additionally, the N‐C 800 possesses an attractive H 2 O 2 production amount up to 631.2 mmol g −1 h −1 and high Faraday efficiency (79.8%) in H‐type cell. The remarkable 2e − ORR electrocatalytic performance of N‐C x catalysts is associated with the N species and N content in the materials. Density functional theory calculations suggest carbon atoms adjacent to graphitic N are the main catalytic sites and exhibit a smaller activation energy, which are more responsible than those in pyridinic N and pyrrolic N doped carbon materials. Furthermore, the N‐C 800 catalyst demonstrates an effective antibacterial performance for marine bacteria in simulated seawater. This work provides a new insight for electro‐generation of H 2 O 2 in neutral electrolyte and triggers a great promise in ocean‐energy application.