Metal sulfide heterojunction with tunable interfacial electronic structure as an efficient catalyst for lithium-oxygen batteries

The design and preparation of catalysts with excellent stability high activity are critical to improving the performance lithium-oxygen (Li-O2) batteries. Heterostructural have attracted wide attention due their tunable structure effectiveness in promoting oxygen reduction reaction evolution kinetics. In this study, CuCo2S4/CoS1.097 polymetallic sulfides were proposed as effective electrocatalysts toward electrode reactions Li-O2 Density functional theory calculations demonstrated that electronic was regulated at heterogeneous interface, which beneficial for optimizing adsorption intermediates during reaction, eventually accelerating sluggish kinetics reactions. CuCo2S4/CoS1.097-based batteries exhibited a specific capacity 26,727.8 mAh g−1 an outstanding durability over 267 cycles 100 mA g−1. This study provides new perspective on application cathode materials