Molybdenum Atom Engineered Vanadium Disulfide for Boosted High‐Capacity Li‐Ion Storage

Abstract

AbstractA drawback with lithium‐ion batteries (LIBs) lies in the unstable lithium storage which results in poor electrochemical performance. Therefore, it's of importance to improve the electrochemical functionality and Li‐ion transport kinetics of electrode materials for high‐performance lithium storage. Here, a subtle atom engineering via injecting molybdenum (Mo) atoms into vanadium disulfide (VS2) to boost high capacity Li‐ion storage is reported. By combining operando, ex situ monitoring and theoretical simulation, it is confirmed that the 5.0%Mo atoms impart flower‐like VS2 with expanded interplanar spacing, lowered Li‐ion diffusion energy barrier, and increased Li‐ion adsorption property, together with enhanced e− conductivity, to boost Li‐ion migration. A “speculatively” optimized 5.0% Mo‐VS2 cathode that exhibits a specific capacity of 260.8 mA h g−1 at 1.0 A g−1 together with a low decay of 0.009% per cycle over 500 cycles is demonstrated. It is shown that this value is ≈1.5 times compared with that for bare VS2 cathode. This investigation has substantiated the Mo atom doping can effectively guide the Li‐ion storage and open new frontiers for exploiting high‐performance transition metal dichalcogenides for LIBs.