Interfacial coupling metallic MoS2 nanosheets with wrinkled Ti3C2TX MXene for reversible and stable sodium storage

Owing to high electronic conductivity and large interlayer spacing, 1T–MoS2 has attracted remarkable attention as one of the most potential anode materials for sodium-ion batteries. However, the electrochemical instability seriously hinders its wide application. The high reversible regeneration of Mo–S bonds to pristine 1T–MoS2 inevitably determines electrochemical reversibility of 1T–MoS2. Herein, hierarchical 1T–MoS2/MXene architectures demonstrate impressive Na–storage performance with stable reversibility. The theoretical simulation results reveal that the favorable structure of Na–S bonding at Mo/MXene heterointerfaces weakens Na–S bond and thereby decreases the recombination energies of Mo–S bond upon desodiation, greatly promoting reversible Na–storage. Moreover, the ex operando X-ray diffraction and Raman spectra further demonstrate an efficient reversible conversion reaction in 1T–MoS2/MXene anode. Therefore, the heterogenous 1T–MoS2/MXene achieves a considerable performance as a sodium-ion battery anode material.