Hierarchical MoO3/SnS2 core-shell nanowires with enhanced electrochemical performance for lithium-ion batteries

Two-dimensional (2D) tin disulfide (SnS2) is a promising anode material for lithium-ion batteries (LIBs) because of its high theoretical capacity. The main challenges associated with the SnS2 electrodes are the poor cycling stability and low rate capability due to structural degradation in the discharge/charge process. Here, a facile two-step synthesis method is developed to fabricate hierarchical MoO3/SnS2 core-shell nanowires, where ultrathin SnS2 nanosheets are vertically anchored on MoO3 nanobelts to induce a heterointerface. Benefiting from the unique structural and compositional characteristics, the hierarchical MoO3/SnS2 core-shell nanowires exhibit excellent electrochemical performance and deliver a high reversible capacity of 504 mA h g(-1) after 100 stable cycles at a current density of 100 mA g(-1), which is far superior to the MoO3 and SnS2 electrodes. An analysis of lithiation dynamics based on ab initio molecular dynamics simulations demonstrates that the formation of a hierarchical MoO3/SnS2 core-shell heterostructure can effectively suppress the rapid dissociation of shell-layer SnS2 nanosheets via the interfacial coupling effect and the central MoO3 backbone can trap and support the polysulfide in the discharge/charge process. The results are responsible for the high storage capacity and rate capability of MoO3/SnS2 electrode materials. This work provides a novel design strategy for constructing high-performance electrodes for LIBs.