材料科学
离子
阳极
电化学
腐蚀
石墨
硫化物
铜
化学工程
锡
集电器
钠离子电池
分子动力学
分解
硒化物
体积膨胀
无机化学
密度泛函理论
扩散
硫化铜
电化学动力学
兴奋剂
纳米技术
碳纤维
电流密度
工作(物理)
电解质
化学物理
电极
作者
Long Chen,Haoyun Dou,Xuanpan Xu,Lingxia Zheng,Qiang Huo,Hong‐En Wang
标识
DOI:10.1002/adfm.202517033
摘要
Abstract Tin sulfide (SnS 2 ) anodes for sodium‐ion batteries (SIBs) exhibit high theoretical capacity (1136 mAh g −1 ) but face sluggish kinetics and structural instability due to volume expansion and poor conductivity. This work proposes a dual‐defect strategy combining anion vacancies and dynamic interfacial optimization. Selenium (Se)‐doped, anion vacancy‐rich tin sulfoselenide (SnSSe) nanosheets anchored on recycled graphite (RG) are synthesized (SnSSe@RG). Electrochemical tests and density functional theory calculations jointly demonstrate that Se doping enhances sodium ion (Na + ) diffusion kinetics. Crucially, a copper (Cu)‐driven interfacial evolution mechanism is further uncovered: sodium polysulfides/selenides formed during the charge/discharge react with the Cu current collector, triggering in situ copper sulfide (Cu 2 S)/copper selenide (Cu 2 Se) formation. Ab initio molecular dynamics simulations reveal spontaneous decomposition of Na 2 S 6 /Na 2 Se 6 at the Cu interface, forming new Cu─S/Cu─Se bonds. These self‐optimized interfaces synergize with anion vacancies to mitigate the volume expansion and accelerate charge transport. Consequently, SnSSe@RG anode delivers high cycling stability (540 mAh g −1 after 300 cycles at 1 A g −1 ) and rate capability (440 mAh g −1 at 5 A g −1 ). Paired with an Na 3 V 2 (PO 4 ) 3 @C cathode, the resultant sodium‐ion full cell retains 125.5 mAh g −1 after 500 cycles at 0.2 A g −1 , demonstrating high viability. This work provides profound mechanistic insights into defect‐coupled current collector engineering and establishes a paradigm for designing self‐adaptive electrodes in high‐performance SIBs.
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