锂离子电池SEI多尺度建模研究展望

张慧敏, 王京, 王一博, 郑家新, 邱景义, 曹高萍, 张浩

Multiscale modeling of the SEI of lithium-ion batteries

Huimin ZHANG, Jing WANG, Yibo WANG, Jiaxin ZHENG, Jingyi QIU, Gaoping CAO, Hao ZHANG

表 1 用于研究SEI的主流多尺度模拟方法及其分类[1]

Table 1 Main stream MSMs for SEI study[1]

Methods MSM types Scientific problems of SEI studied First principle MD MSMSL Composition and decomposition reactions Reactive MD MSMSL Decomposition reactions Classical MD MSMSL Transport and mechanical properties Hybrid MC MD MSMIC Formation process kMC MSMSL Formation process, ion diffusion Macroscopic models MSMTC Cell capacity face