Multi-scale computation methods: Their applications in lithium-ion battery research and development

Shi Siqi^{1, 2, †,}, Gao Jian², Liu Yue^{3, ‡,}, Zhao Yan¹, Wu Qu¹, Ju Wangwei³, Ouyang Chuying^{4, §,}, Xiao Ruijuan^{5, ¶,}

(a) Structure illustration for the solid electrolyte LiI(C₃H₅NO)₂viewed along thea-axis; (b) energy barriers for the hopping of I and Li to their neighboring sites along thecdirection.^[48]