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

图6 (a) 由Li2BDC和Li2EDC组成的有序和非晶SEI模型的Li+ 阳离子扩散系数[54]；(b)在393 K处，Li2BDC和Li2EDC有序分布和Li2BDC无定形分布的Li+ 的计算模拟图；在(c)负极电位和(d)正极电位的双层中具有代表性的Li+-阴离子配位，红色和蓝色条分别表示阳极和阴极表面的( x, y )平面[76]

Fig. 6 (a) Li+ cation diffusion coefficients for ordered and amorphous SEI models consisting of Li2BDC and Li2EDC[54]； (b) Snapshots highlighting the Li+ distribution in ordered Li2BDC and Li2EDC, and amorphous Li2BDC, all at 393 K； Representative Li+-anion coordination in the double layer at (c) negative electrode potentials and (d) positive electrode potentials. Red and blue bars indicate the (x, y) plane of the anode and cathode surfaces, respectively[76]