Fabrication and theoretical investigation of MoS2-Co3S4 hybrid hollow structure as electrode material for lithium-ion batteries and supercapacitors

We report the construction of MoS2-Co3S4 hybrid with hollow nanostructure that delivers highly reactive and durable energy storage functionalities as lithium-ion batteries and supercapacitors via facile solvothermal synthesis. As a lithium-ion battery anode, it is proven to achieve high reversible capacity (880 mA h g(-1) at 0.1 A g(-1) after 200 cycles) with excellent cycle performance. It exhibits a superior specific capacitance (1369 F g(-1) at 1 A g(-1)) of and 83% capacity retention after 10,000 cycles when evaluated as an electrode for supercapacitors. The enhanced performance of energy storage is attributed to the improved conductivity and increased active sites due to the hollow structure and synergistic effect. First principles calculations are employed with the nudged elastic band method to investigate the inner mechanisms of enhanced battery property. This work paves the way for the preparation of promising energy storage material on the base of MoS2 composite.