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Operando identification of anion effect on lithium nucleation and growth via in situ transmission electron microscopy

  • Honglu Hu,
  • Zhen Zhang,
  • Mingzi Sun,
  • So Yeon Kim,
  • Se Young Kim,
  • Xinru Yang,
  • Liang Mei,
  • Ruixin Yan,
  • Weikang Zheng,
  • Yue Zhang,
  • M. Danny Gu,
  • Guozhao Fang,
  • Dongliang Chao,
  • Hong-Gang Liao,
  • Joon Sang Lee,
  • Bolong Huang,
  • Ju Li,
  • Zhiyuan Zeng

摘要

Lithium metal batteries are considered promising candidates for next-generation energy storage due to the high capacity and low redox potential of lithium negative electrodes. However, dendritic Li growth and unstable solid-electrolyte interphase formation remain critical bottlenecks for practical implementation. While electrolyte anion chemistry critically governs solid-electrolyte interphase formation, nanoscale observations of anion-regulated Li nucleation and growth mechanisms remain limited in tracking dynamic interfacial processes. Here, we employ in situ liquid-phase transmission electron microscopy combined with cryogenic spectroscopy and computational modelling to unravel anion-specific Li nucleation and growth in three distinct electrolytes: LiClO4, LiPF6, and LiTFSI-based electrolytes. Real-time tracking reveals that ClO4 drives dendritic Li growth with organic dominated solid-electrolyte interphase, whereas PF6 stabilizes moss-like Li nucleation through LiF-organic hybrid interphases. Notably, TFSI⁻ forms a bilayer SEI with LiF/Li2CO3-rich inner layers, enabling Li lateral growth and fusion. Molecular dynamics simulations correlate anion-induced interface architectures with Li+ transport and surface potential distributions, demonstrating that TFSI suppresses dendrites via balanced mechanical confinement and ion-flux regulation. These anion-mediated interface engineering observations offers principles for electrolyte design toward stable lithium metal batteries.