In-situ anchored NiS nanoparticles on 3D honeycomb-like N,S dual-doped carbon matrixes as an advanced anode for sodium-ion batteries

Devising advanced anode materials with fast reaction dynamics is of vital importance for high-performance sodium-ion batteries (SIBs). Herein, an advanced anode material for SIBs, featuring NiS nanoparticles (NPs) in-situ anchored on 3D honeycomb-like N,S dual-doped carbon matrixes (NiS NPs/3DHL N,S-C), is successfully synthesized by the combination of thermal decomposition and sulfidation methods. The resulting composite shows high surface area, rich pores, excellent conductivity, and ideal structural stability. Density Functional Theory (DFT) simulations further confirm that the synergistic interaction between NiS NPs and 3DHL N,S-C induces a downward energy level shift of the S 3 p orbital, effectively boosting Na + desorption and enhancing redox reaction dynamics. When serving as an SIB anode, NiS NPs/3DHL N,S-C achieves a high specific capacity of 457.7 mAh g −1 at 0.1 A g −1 , superior cycling stability (retaining 321.8 mAh g −1 after 3000 cycles at 2 A g −1 ), and remarkable rate capability (373.6 mAh g −1 at 5 A g −1 ). The relevant full cell also presents excellent performance with a specific capacity of 265.2 mAh g −1 at 1 A g −1 after 50 cycles. This research expands the design paradigm of high-performance transition metal sulfides (TMSs) in SIB anodes