Yirui Zhang, Dimitrios Fraggedakis, Tao Gao, Shakul Pathak, Debbie Zhuang, Cristina Grosu, Yash Samantaray, Armando R. C. Neto, Sravani R. Duggirala, Botao Huang, Yun Guang Zhu, Livia Giordano, Ryoichi Tatara, Harsh Agarwal, Ryan M. Stephens, Martin Z. Bazant, Yang Shao-Horn
{"title":"Lithium-ion intercalation by coupled ion-electron transfer","authors":"Yirui Zhang, Dimitrios Fraggedakis, Tao Gao, Shakul Pathak, Debbie Zhuang, Cristina Grosu, Yash Samantaray, Armando R. C. Neto, Sravani R. Duggirala, Botao Huang, Yun Guang Zhu, Livia Giordano, Ryoichi Tatara, Harsh Agarwal, Ryan M. Stephens, Martin Z. Bazant, Yang Shao-Horn","doi":"10.1126/science.adq2541","DOIUrl":null,"url":null,"abstract":"<div >The underlying reaction mechanism in lithium-ion batteries remains poorly understood. We provide experimental and theoretical evidence that lithium intercalation occurs by coupled ion-electron transfer, where ion transfer across the electrode-electrolyte interface is facilitated by electron transfer to a neighboring redox site. Electrochemical measurements for a variety of common electrode and electrolyte materials reveal a universal dependence of the (de-)intercalation rate on Li<sup>+</sup> vacancy fraction, as well as temperature and electrolyte effects consistent with the theory, which could be used to guide the molecular design of lithium-ion battery interfaces.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"390 6768","pages":""},"PeriodicalIF":45.8000,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Science","FirstCategoryId":"103","ListUrlMain":"https://www.science.org/doi/10.1126/science.adq2541","RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0
Abstract
The underlying reaction mechanism in lithium-ion batteries remains poorly understood. We provide experimental and theoretical evidence that lithium intercalation occurs by coupled ion-electron transfer, where ion transfer across the electrode-electrolyte interface is facilitated by electron transfer to a neighboring redox site. Electrochemical measurements for a variety of common electrode and electrolyte materials reveal a universal dependence of the (de-)intercalation rate on Li+ vacancy fraction, as well as temperature and electrolyte effects consistent with the theory, which could be used to guide the molecular design of lithium-ion battery interfaces.
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