基于蒙特卡罗模拟的离子导体热力学与动力学特性 |
刘金平, 蒲博伟, 邹喆乂, 李铭清, 丁昱清, 任元, 罗亚桥, 李杰, 李亚捷, 王达, 何冰, 施思齐 |
Investigating thermodynamic and kinetic properties of ionic conductors via Monte Carlo simulation |
Jinping LIU, Bowei PU, Zheyi ZOU, Mingqing LI, Yuqing DING, Yuan REN, Yaqiao LUO, Jie LI, Yajie LI, Da WANG, Bing HE, Siqi SHI |
图9 MC模拟石墨负极中锂离子的排布:(a) 锂/石墨插层化合物模型;(b) 离子在石墨中的传导模型;(c)Li离子插入、脱出过程中的Li离子含量与时间的关系;(d) Rüdorff- Hoffmann锂/石墨插层化合物模型;(e) Dumas-Hérold锂/石墨插层化合物模型;(f) 两种模型对应的能量值[ |
Fig. 9 Distribution of Li ions by MC simulation in graphite anode: (a) lithium/graphite intercalation compound model; (b) ionic conduction model in graphite; (c) the relationship between Li ion content and time in the process of Li ion insertion and removal; (d) Rüdorff-Hoffmann model of lithium/graphite intercalation compound; (e) dumas-Herold lithium/graphite intercalation compound model; (f) changes in energy values corresponding to the two models |