Graphdiyne-Induced CoN/CoS2 Heterojunction: Boosting Efficiency for Bifunctional Oxygen Electrochemistry in Zinc-Air Batteries

Graphical This graphical abstract visually summarizes the main findings of the study, showcasing how the strategic design of a GDY-induced CoN/CoS 2 heterojunction within a nitrogen-doped carbon substrate leads to a more efficient and durable electrocatalyst for both oxygen reduction and evolution reactions in high-performance zinc-air batteries. The performance of zinc-air battery is constrained by the sluggish rate of oxygen electrode reaction, particularly under high current discharge conditions where the kinetic process of the oxygen reduction reaction (ORR) decelerates significantly. To address this challenge, we present a novel phase transition strategy that facilitates the creation of a heteroatom-doped heterointerface (CoN/CoS 2 ). The meticulously engineered CoN/CoS 2 /NC electrocatalyst displays a superior ORR half-wave potential of 0.87 V and an OER overpotential of 320 mV at 10 mA cm −2 . Experimental and computational analysis confirm that the CoN/CoS 2 heterostructure optimizes local charge distribution, accelerates electron transfer, and tunes active sites for enhanced catalysis. Notably, this heterojunction improves stability by resisting corrosion and degradation under harsh alkaline conditions, thus demonstrating superior performance and longevity in a custom-made liquid zinc-air battery. This research provides valuable practical and theoretical foundations for designing efficient heterointerfaces in electrocatalysis applications.