Dual Catalytic Sites of Alloying Effect Bloom CO₂ Catalytic Conversion for Highly Stable Li–CO₂ Battery

Abstract Owing to the ingenious utilization of CO 2 conversion electrochemistry, rechargeable Li–CO batteries, have attracted more and attention. However, large potential polarization resulting from sluggish reduction/evolution electrochemistry degrades energy efficiency cycling performance. One possibility break kinetic bottlenecks ‐Li–CO batteries is design high‐efficiency catalysts with flexible geometric electronic structures. Herein, an efficient synergistic catalyst unique alloyed dual catalytic sites composed uniformly ultrafine Ir–Ru nanoparticles modified nitrogen‐doped carbon nanotube composite (denoted as IrRu/N‐CNT) synthesized. Combining effect between remarkably enhanced activity sites, battery delivers a high discharge capacity 6228 mAh g −1 outstanding stability over 7660 h. Density functional theory (DFT) calculation results uncover that excellent electrochemical performance ascribed novel on surface IrRu nanoalloys, which effectively modify its structures shorten electron transfer pathway, leading deposition film‐like Li 3 products. This study highlights view building site provides some new insights for understanding mechanism alloying‐type bifunctional toward realizing high‐performance batteries.