Multidimensional octahedron (de) intercalation cathode for aqueous zinc-ion battery

CuS is a suitable material for use in lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs). Nevertheless, the Zn²⁺ reaction between CuS is challenging due to the high radius and the considerable electrostatic force between the Zn²⁺ and CuS cathode. In this work, CuS nanosheets were in situ grown on a template surface via the hydrothermal method. The composition, surface morphology, and microstructure were then studied in detail. The zinc storage properties and mechanism were investigated through electrochemical testing, density functional theory and molecular dynamics simulation. The findings demonstrate that CuS nanosheets are formed in situ along the octahedral surface, resulting in the development of multistage structures. The distinctive configuration is capable of efficaciously preventing nanosheet aggregation, augmenting the specific surface area and active site of electrochemical reactions. Furthermore, the formation of a hollow structure through ion exchange reduces the intercalation energy barrier of Zn²⁺, facilitates rapid ion diffusion, enhances the charge transfer rate, and markedly improves battery performance.