{"title":"固态锂金属电池界面机械失效中空隙缺陷的电化学-力学演化机制","authors":"Xinyi Zou, Zhipeng Yin, Tong Xu, Hao Feng, Zhongming Li*, Jiangqi Zhou* and Chengwei Ma*, ","doi":"10.1021/acs.iecr.5c01817","DOIUrl":null,"url":null,"abstract":"<p >Solid state lithium metal batteries are the most promising candidates for high-energy density battery systems due to their high energy density and safety characteristics. However, the incomplete smooth solid–solid interface between the solid electrolyte and the lithium metal anode leads to poor interface contact, resulting in uneven lithium plating and lithium dendrite penetration, which in turn causes mechanical failure of the interface. Herein, the effect mechanism of lithium metal evolution on interface mechanical failure in solid electrolyte void defects was investigated by establishing a two-dimensional electrochemical mechanical multiphysics coupling model. The lithium metal at the interface void defect of LLZO with high ionic conductivity exhibits small Von Mises stress, which is conducive to suppressing the growth of lithium dendrites perpendicular to the interface direction. The LLZO interface void defect with low ionic conductivity exhibits large local equivalent strain, and the damage area parallel to the interface direction inside the void is narrower, which is more conducive to protecting the solid electrolyte. Moreover, when the interface reaction is at a low reaction rate and high diffusion rate, corresponding to R ≥ 1, stable deposition is formed at the interface. By regulating the stacking pressure to 30–60 MPa, it can effectively deflect and prevent the growth of lithium dendrites. This work provides scientific theoretical guidance for interface engineering of solid-state lithium metal batteries.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 30","pages":"14927–14939"},"PeriodicalIF":3.9000,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The Lithium Metal Electrochemical-Mechanical Evolution Mechanism of Void Defects for Interface Mechanical Failure in Solid-State Lithium Metal Batteries\",\"authors\":\"Xinyi Zou, Zhipeng Yin, Tong Xu, Hao Feng, Zhongming Li*, Jiangqi Zhou* and Chengwei Ma*, \",\"doi\":\"10.1021/acs.iecr.5c01817\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Solid state lithium metal batteries are the most promising candidates for high-energy density battery systems due to their high energy density and safety characteristics. However, the incomplete smooth solid–solid interface between the solid electrolyte and the lithium metal anode leads to poor interface contact, resulting in uneven lithium plating and lithium dendrite penetration, which in turn causes mechanical failure of the interface. Herein, the effect mechanism of lithium metal evolution on interface mechanical failure in solid electrolyte void defects was investigated by establishing a two-dimensional electrochemical mechanical multiphysics coupling model. The lithium metal at the interface void defect of LLZO with high ionic conductivity exhibits small Von Mises stress, which is conducive to suppressing the growth of lithium dendrites perpendicular to the interface direction. The LLZO interface void defect with low ionic conductivity exhibits large local equivalent strain, and the damage area parallel to the interface direction inside the void is narrower, which is more conducive to protecting the solid electrolyte. Moreover, when the interface reaction is at a low reaction rate and high diffusion rate, corresponding to R ≥ 1, stable deposition is formed at the interface. By regulating the stacking pressure to 30–60 MPa, it can effectively deflect and prevent the growth of lithium dendrites. This work provides scientific theoretical guidance for interface engineering of solid-state lithium metal batteries.</p>\",\"PeriodicalId\":39,\"journal\":{\"name\":\"Industrial & Engineering Chemistry Research\",\"volume\":\"64 30\",\"pages\":\"14927–14939\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-07-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Industrial & Engineering Chemistry Research\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.iecr.5c01817\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Industrial & Engineering Chemistry Research","FirstCategoryId":"5","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.iecr.5c01817","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
The Lithium Metal Electrochemical-Mechanical Evolution Mechanism of Void Defects for Interface Mechanical Failure in Solid-State Lithium Metal Batteries
Solid state lithium metal batteries are the most promising candidates for high-energy density battery systems due to their high energy density and safety characteristics. However, the incomplete smooth solid–solid interface between the solid electrolyte and the lithium metal anode leads to poor interface contact, resulting in uneven lithium plating and lithium dendrite penetration, which in turn causes mechanical failure of the interface. Herein, the effect mechanism of lithium metal evolution on interface mechanical failure in solid electrolyte void defects was investigated by establishing a two-dimensional electrochemical mechanical multiphysics coupling model. The lithium metal at the interface void defect of LLZO with high ionic conductivity exhibits small Von Mises stress, which is conducive to suppressing the growth of lithium dendrites perpendicular to the interface direction. The LLZO interface void defect with low ionic conductivity exhibits large local equivalent strain, and the damage area parallel to the interface direction inside the void is narrower, which is more conducive to protecting the solid electrolyte. Moreover, when the interface reaction is at a low reaction rate and high diffusion rate, corresponding to R ≥ 1, stable deposition is formed at the interface. By regulating the stacking pressure to 30–60 MPa, it can effectively deflect and prevent the growth of lithium dendrites. This work provides scientific theoretical guidance for interface engineering of solid-state lithium metal batteries.
期刊介绍:
ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.