O modified N-doped carbon nanotubes enhanced 2e- oxygen reduction reaction via antibonding activation for efficient antibactrial in netural media

Hydrogen peroxide (H2O2), as a green and renewable environmental protection oxidizing agent, is widely used in chemical synthesis, paper bleaching, sterilization and other industries. The production of H2O2 by two-electron oxygen reduction reaction (2e- ORR) is a promising alternative to the industrial anthraquinone process. In this study, oxygen modified nitrogen-doped carbon nanotubes (O-NCNTs-6) catalyst was prepared for the highly selective ORR to convert H2O2 in neutral media. Notably, the H2O2 selectivity of O-NCNTs-6 is up to 90 %, and the H-cell test exhibits a high H2O2 production rate (about 1035 mmol gcat-1h−1) with excellent bactericidal efficiency (>90 %). Density functional theory (DFT) calculations demonstrate that the antibonding orbitals of O2 can acquire electrons from the as-prepared O-NCNTs-6, thereby facilitating activation of the O-O bond and enhancing the feasibility of the 2e- ORR reaction. Experiments and DFT calculations further confirm that in addition to H2O2, reactive oxygen species (ROS) such as OH and ·O2– produced during the catalytic process play an important role in the sterilization process. This work provides an effective strategy for the design of 2e- ORR catalysts and provides a green and potential electrocatalytic antifouling technology for the antibacterial antifouling field.