物理化学学报 >> 2026, Vol. 42 >> Issue (11): 100368.doi: 10.1016/j.actphy.2026.100368

论文 上一篇    

Bi2S3@Sn0.904O2中硫空位与锡空位的协同构筑及其作为长寿命锂离子电池负极材料

庞明远1, 苏一苹1, 张浩浩1, 洪来欣1, 王越3, 马瑜婕1, 杨敏1, 郭梦格1, 王子麦1, 孔震1, 叶佳佳1, 安娟1, 吴广磊2   

  1. 1 齐鲁理工学院生物与化学工程学院, 山东 济南 250200;
    2 青岛大学材料科学与工程学院, 山东青岛 266071;
    3 湖北汽车工业学院汽车材料学院, 湖北十堰 442002
  • 收稿日期:2026-05-12 修回日期:2026-07-08 录用日期:2026-07-13 发布日期:2026-09-29
  • 通讯作者: 孔震, 安娟, 吴广磊 E-mail:kz577718484@163.com;angelanjuan@163.com;wuguanglei@qdu.edu.cn
  • 基金资助:
    本研究得到了山东省自然科学基金(ZR2024QE450,ZR2026MS0918和ZR2024QB302)以及齐鲁理工学院科研项目(QIT23TP019)的资助。

Co-construction of sulfur and tin vacancies in Bi2S3@Sn0.904O2 as a durable anode for lithium-ion batteries

Mingyuan Pang1, Yiping Su1, Haohao Zhang1, Laixin Hong1, Yue Wang3, Yujie Ma1, Min Yang1, Mengge Guo1, Zimai Wang1, Zhen Kong1, Jiajia Ye1, Juan An1, Guanglei Wu2   

  1. 1 College of Biological and Chemical Engineering, Qilu Institute of Technology, Jinan 250200, Shandong Province, China;
    2 College of Materials Science and Engineering, Qingdao University, Qingdao 266071, Shandong Province, China;
    3 School of Automotive Materials, Hubei University of Automotive Technology, Shiyan 442002, Hubei Province, China
  • Received:2026-05-12 Revised:2026-07-08 Accepted:2026-07-13 Published:2026-09-29
  • Contact: Zhen Kong, Juan An, Guanglei Wu E-mail:kz577718484@163.com;angelanjuan@163.com;wuguanglei@qdu.edu.cn

摘要: 锡基电极材料因其较高的理论比容量,已成为高能量密度电池体系中极具应用前景的负极候选材料之一。然而,其在循环过程中巨大的体积膨胀与容量快速衰减问题,严重阻碍了商业化应用进程。为解决这一关键难题,本文巧妙结合铋基材料高稳定性与锡基材料高比容量的优势,设计并制备了一维纳米棒结构的氧化锡包覆硫化铋(Bi2S3@Sn0.904O2)纳米复合材料。通过工艺调控,在材料中合理引入阳离子锡空位与阴离子硫空位,两类空位与异质结结构产生协同效应,共同提升电极的储锂性能。将所制备的Bi2S3@Sn0.904O2用作锂离子电池负极时,在电流密度500 mA g-1下循环150圈可逆比容量达737.3 mA g-1;在2 A g-1大电流下循环1500圈后,仍可保持656.8 mAh g-1的比容量。更为重要的是,本文借助密度泛函理论(DFT)计算,系统阐明了其内在储能作用机理。该独特的结构设计策略,为构筑高性能锡基电极材料及其他金属基负极材料提供了重要的理论与实验指导。

关键词: Bi2S3@Sn0.904O2, 锡空位, 硫空位, 异质结结构, 锂离子电池

Abstract: Tin-based electrode materials have emerged as one of the most promising anode candidates for high-energy-density battery systems due to their high theoretical capacity. However, their large volume expansion and rapid capacity fading during cycling have severely impeded their commercialization. To address these critical challenges, this work ingeniously integrates the high stability of bismuth-based materials with the high capacity of tin-based materials, designing and fabricating a one-dimensional nanorod-structured tin oxide-encapsulated bismuth sulfide (Bi2S3@Sn0.904O2) nanocomposite. Through process regulation, cationic tin vacancies and anionic sulfur vacancies are rationally introduced, which act in synergy with the heterojunction structure to jointly enhance the lithium storage performance of the electrode. As an anode for lithium-ion batteries, the as-prepared Bi2S3@Sn0.904O2electrode delivers a reversible capacity of 737.3 mA h g-1 at a current density of 500 mA g-1, and maintains a capacity of 656.8 mA h g-1 after 1500 cycles at 2 A g-1. More importantly, the underlying mechanism has been systematically elucidated via density functional theory (DFT) calculations. This unique structural design strategy provides important guidance for the construction of high-performance tin-based electrode materials and other metal-based anode materials.

Key words: Bi2S3@Sn0.904O2, Tin vacancies, Sulfur vacancies, Heterojunction structure, Lithium-ion batteries