Vanadium Intercalation into Niobium Disulfide to Enhance the Catalytic Activity for Lithium-Sulfur Batteries

Despite their high specific energy and great promise for next-generation energy storage, lithium-sulfur (Li-S) batteries suffer from polysulfide shuttling, slow redox kinetics, and poor cyclability. Catalysts are needed to accelerate polysulfide conversion and suppress the shuttling effect. However, a lack of structure-activity relationships hinders the rational development of efficient catalysts. Herein, we studied the Nb-V-S system and proposed a V-intercalated NbS₂ (Nb₃VS₆) catalyst for high-efficiency Li-S batteries. Structural analysis and modeling revealed that undercoordinated sulfur anions of [VS₆] octahedra on the surface of Nb₃VS₆ may break the catalytic inertness of the basal planes, which are usually the primary exposed surfaces of many 2D layered disulfides. Using Nb₃VS₆ as the catalyst, the resultant Li-S batteries delivered high capacities of 1541 mAh g^-1 at 0.1 C and 1037 mAh g^-1 at 2 C and could retain 73.2% of the initial capacity after 1000 cycles. Such an intercalation-induced high activity offers an alternative approach to building better Li-S catalysts.