Multi-scale computation methods: Their applications in lithium-ion battery research and development
Shi Siqi1, 2, †, , Gao Jian2, Liu Yue3, ‡, , Zhao Yan1, Wu Qu1, Ju Wangwei3, Ouyang Chuying4, §, , Xiao Ruijuan5, ¶,
       

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