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Estimating the thickness of diffusive solid electrolyte interface 被引量:1

Estimating the thickness of diffusive solid electrolyte interface
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摘要 electrolyte. The properties of lithium-ion (Li-ion) battery, such as cycle life, irreversible capacity loss, self-discharge rate, electrode corrosion and safety are usually ascribed to the quality of the SEI, which are highly dependent on the thickness. Thus, understanding the formation mechanism and the SEI thickness is of prime interest. First, we apply dimensional analysis to obtain an explicit relation between the thickness and the number density in this study. Then the SEI thickness in the initial charge-discharge cycle is analyzed and estimated for the first time using the Cahn-Hilliard phase-field model. In addition, the SEI thickness by molecular dynamics simulation validates the theoretical results. It has been shown that the established model and the simulation in this paper estimate the SEI thickness concisely within order-of-magnitude of nanometers. Our results may help in evaluating the performance of SEI and assist the future design of Li-ion battery. electrolyte. The properties of lithium-ion (Li-ion) battery, such as cycle life, irreversible capacity loss, self-discharge rate, electrode corrosion and safety are usually ascribed to the quality of the SEI, which are highly dependent on the thickness. Thus, understanding the formation mechanism and the SEI thickness is of prime interest. First, we apply dimensional analysis to obtain an explicit relation between the thickness and the number density in this study. Then the SEI thickness in the initial charge-discharge cycle is analyzed and estimated for the first time using the Cahn-Hilliard phase-field model. In addition, the SEI thickness by molecular dynamics simulation validates the theoretical results. It has been shown that the established model and the simulation in this paper estimate the SEI thickness concisely within order-of-magnitude of nanometers. Our results may help in evaluating the performance of SEI and assist the future design of Li-ion battery.
出处 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2017年第6期61-68,共8页 中国科学:物理学、力学、天文学(英文版)
基金 supported by the National Natural Science Foundation of China (Grant Nos. 11372313, U1562105, and 11611130019) the Chinese Academy of Sciences (CAS) through CAS Interdisciplinary Innovation Team Project, the CAS Key Research Program of Frontier Sciences (Grant No. QYZDJ-SSW-JSC019) the CAS Strategic Priority Research Program (Grant No. XDB22040401)
关键词 界面厚度 固体电解质 分子动力学模拟 锂离子电池 不可逆容量损失 估算 扩散 时间估计 lithium-ion battery solid electrolyte interface diffusion model thickness estimation
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