Selenium Doping and Vacancy Engineering to Regulate the P-Band Center of Sulfur in Zinc Sulfide for High-Performance Sodium-Ion Storage.

Zhao, Wenbo; Li, Yuhang; Jiang, Yulin; Li, Yinuo; Li, Xiaohui; Sun, Hang; Du, Zhu; Song, Luying et al. · Nano Lett · 2026

basic_science · Level V

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Abstract

Zinc-based sulfides are promising anodes for sodium-ion batteries (SIBs) due to their high theoretical capacities and low costs. However, inferior structural stability under high current densities leads to severe volume expansion and rapid capacity fading. Herein, a series of Se-doped, carbon-coated ZnS (ZnS<sub>1-<i>x</i></sub>Se<sub><i>x</i></sub>@C) anodes with various vacancy levels are designed. Se doping and vacancy engineering modulate the band structure of ZnS and lift the p-band center of sulfur, thereby weakening Zn-S bonds, strengthening Na-S interactions, and accelerating reaction kinetics. The optimized ZnS<sub>0.80</sub>Se<sub>0.09</sub>@C anode delivers an exceptional rate capability of 328.7 mAh g<sup>-1</sup> at 30 A g<sup>-1</sup> and maintains a remarkable capacity of 372.4 mAh g<sup>-1</sup> over 2200 cycles at 10 A g<sup>-1</sup>. Particularly, the sodium-ion full cell exhibits superior rate capacity and long-term cycling stability. These findings provide new insights into enhancing sodium-ion storage performance through controlled doping and vacancy engineering to regulate the p-band center of sulfur.