电化学（中英文）2026，Vol.32Issue(6)：10-20,11.DOI:10.61558/2993-074X.3611
石墨-羧甲基纤维素界面锂离子的分布与传输机制
Distribution and Transport of Lithium Ions at Interfaces between Graphite and Carboxymethyl Celluloses
摘要
Abstract
Carboxymethyl cellulose(CMC)is a water-processable binder widely used for graphite anodes.However,a microscop-ic understanding of why the identity of CMC counterions(Li+/Na+/K+)strongly affects electrode performance remains limited.Here,molecular dynamics(MD)simulations are used to track Li+transport accessibility across electrolyte/CMC/graphite three-phase interfaces,comparing pure CMC-Li,CMC-Na,CMC-K,and mixed-counterion CMC binders.We find that CMC-Li sustains a continuous Li+transport pathway from the electrolyte through the binder phase toward graphite.In contrast,in CMC-Na and CMC-K,Na+/K+ions preferentially enrich at the graphite/binder interface,forming a cation-enriched interfacial layer which reduces Li+accessibility to graphite.Partial replacement of Na+/K+in CMC-Na and CMC-K with Li+weakens this interfacial blocking effect and increases Li+accessibility.Furthermore,a stage-resolved kinetic anal-ysis visualizes the progressive suppression of Li+crossing the binder phase upon the barrier layer formation.These results provide a microscopic rationale for the experimentally observed performance advantage of CMC-Li over CMC-Na and CMC-K binders.关键词
羧甲基纤维素/石墨负极/粘结剂抗衡离子/界面离子传输/阳离子富集界面屏障Key words
Carboxymethyl cellulose binder/Graphite anode/Binder counterions/Interfacial ion transport/Cation-enriched interfacial barrier引用本文复制引用
黄子郡,郑臻颖,曹华伟,王键,张庆丰,陈胜利..石墨-羧甲基纤维素界面锂离子的分布与传输机制[J].电化学（中英文）,2026,32(6):10-20,11.基金项目
This work was supported by the National Natural Science Foundation of China(Grant Nos.22272122 and 22332004),and the Shenzhen Haodyne Technol-ogy Co.,Ltd.(No.250071492).The authors gratefully acknowledge the Supercomputing Center of Wuhan University for providing computational resources. （Grant Nos.22272122 and 22332004）
