Dead lithium formation in lithium metal batteries:A phase field model  

作　　者：Rui Zhang Xin Shen Yu-Tong Zhang Xia-Lin Zhong Hao-Tian Ju Tian-Xiao Huang Xiang Chen Jun-Dong Zhang Jia-Qi Huang 

机构地区：[1]Advanced Research Institute of Multidisciplinary Science,Beijing Institute of Technology,Beijing 100081,China [2]School of Materials Science and Engineering,Beijing Institute of Technology,Beijing 100081,China [3]Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology,Department of Chemical Engineering,Tsinghua University,Beijing 100084,China

出　　处：《Journal of Energy Chemistry》2022年第8期29-35,I0002,共8页能源化学（英文版）

基　　金：supported by the National Natural Scientific Foundation of China(22109011);the China Postdoctoral Science Foundation(BX20200047,2021M690380)。

摘　　要：Lithium metal batteries are the most promising choices for next-generation high-energy–density batteries. However, there is little mechanism understanding on lithium dendrite growth during lithium plating and the dead lithium(the main component of inactive lithium) formation during lithium stripping. This work proposed a phase field model to describe the lithium stripping process with dead lithium formation.The coupling of galvanostatic conditions enables the phase field method to accurately match experimental results. The factors influencing the dead lithium formation on the increasing discharge polarization are revealed. Besides, the simulation of the battery polarization curve, the capacity loss peak, and the Coulomb efficiency is realized. This contribution affords an insightful understanding on dead lithium formation with phase field methods, which can contribute general principles on rational design of lithium metal batteries.

关 键 词：Lithium metal batteries Lithium metal anodes Lithium dendrites Dead lithium Lithium stripping Phase field methods Finite element methods 

分 类 号：TG146.26[一般工业技术—材料科学与工程] TM912[金属学及工艺—金属材料]