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, ¶,}

Capacity fade of Cr-doped LiFePO₄material. Relative capacity as a function of dopant amount for various sizes of supercell.^[49]