Cu–Co Dual Single Atom and Nitrogen Doped Carbon Nanotubes as Oxygen Reduction Reaction Electrocatalysts

Although single-atom catalysts hold great promise for developing advanced oxygen reduction reaction (ORR) electrocatalysts, their performance often faces limitations in optimizing the adsorption of multiple intermediates. Herein, we report a Cu–Co dual-atom catalyst (CuCoNCNT) via a three-step synthesis method. CuCoNCNT exhibited outstanding ORR activity in alkaline media, comparable to that of Pt/C, coupled with superior kinetic performance and exceptional stability. DFT calculations pointed out the crucial synergistic role of Cu–Co by electronically modulating the active Co site and downshifting its d-band center to achieve optimal intermediate adsorption. When configured in a zinc-air battery, CuCoNCNT demonstrated superior overall performance compared to Pt/C, delivering a higher open-circuit voltage (1.53 V) and greater peak power density (111.8 mW cm–2) with robust cycling stability. This work offers a viable synthesis route for high-performance dual-atom catalysts and provides deep insight into electronic structure-mediated performance enhancement.