锂金属负极界面热量分布演化机理

doi:10.11949/0438-1157.20240238

摘要/Abstract

摘要：

锂金属电池由于其极高的理论比容量而被认为是高能量密度电池的有利选择。然而，界面不稳定性一直是锂金属电池商业化发展的最大挑战，热场演化机制是锂金属界面演化过程中影响电池循环寿命的关键因素。在此，通过固体电解质界面（SEI）热分布演化模型揭示并量化了锂金属负极界面热量分布演化机制。三个影响因素概述如下：（1） SEI与电解液扩散能力的比率。（2）电解液性能。（3）赋予SEI各向异性。结果表明，在适当的比例下界面处最大温度梯度相对较小；电解液浓度影响着电解液的性能，进而影响着锂金属负极界面的热量分布；赋予SEI各向异性可以诱导锂枝晶横向生长有利于界面热量的均匀分布。这项工作为锂金属电池的界面设计提供了一定的理论指导。

关键词: 锂金属负极, 热分布, 模型, SEI, 锂枝晶

Abstract:

Lithium metal batteries are considered to be a favorable choice for high -energy density batteries due to its high theoretical compared capacity. However, the interface instability has always been the biggest challenge for the commercial development of lithium metal batteries. The evolution mechanism of the thermal field is a key factor affecting the cyclic life during the evolution of lithium metal interfaces. Here, through the solid electrolyte interface (SEI) thermal distribution evolution model, it reveals and quantitatively quantitative the heat distribution evolution mechanism of the lithium metal anode interface. The three influencing factors are as follows: (1) the ratio of SEI to the diffusion capacity of electrolytes. (2) The electrolyte properties. (3) The anisotropy in the SEI. The results show that the maximum temperature gradient at an appropriate proportion is relatively small; the concentration of the electrolyte affects the performance of the electrolyte, which will affect the thermal distribution of the lithium metal anode interface; The SEI anisotropy can induce lateral growth of lithium dendrites, which is conducive to uniform distribution of interfacial heat This work provides certain theoretical guidance for the interface design of lithium metal batteries.

Key words: lithium metal anode, thermal distribution, model, SEI, lithium dendrites

中图分类号:

TM 912

李润龙, 徐童, 陈飞, 马成伟. 锂金属负极界面热量分布演化机理[J]. 化工学报, DOI: 10.11949/0438-1157.20240238.

Runlong LI, Tong XU, Fei CHEN, Chengwei MA. Lithium metal anode interface thermal distribution evolution mechanism[J]. CIESC Journal, DOI: 10.11949/0438-1157.20240238.

图/表 11

图1 SEI热分布演化几何模型

Fig.1 Geometric model of SEI thermal distribution evolution

表1 几何模型参数

Table 1 Geometric model parameters

描述	数值
矩形长度	500 μm
矩形宽度	190 μm
凸起长度	10 μm
凸起宽度	10 μm
SEI厚度	2 μm

图2 网格划分示意图

Fig.2 Schematic diagram of meshing

表2 网格大小设置

Table 2 Mesh size parameters

描述	数值
最大单元大小	18.5 μm
最小单元大小	0.0625 μm
曲率因子	0.1
最大单元增长率	1.5
预定义大小	较细化
定制单元大小	定制
狭窄区域分辨率	1

图3 不同L下SEI内部热量分布演化 (K/μm)

Fig.3 Evolution of internal heat distribution in SEI at different L

图4 t=400s时不同L值下的温度梯度

Fig.4 Temperature gradient at different L values at t=400s

图5 t=500s时不同L值下界面热量分布 (K/μm)

Fig.5 Interface heat distribution at different L values at t=500s

图6 SEI各向同性与各向异性下内部热量分布 (K/μm)

Fig.6 Internal heat distribution in SEI under isotropic and anisotropic conditions (K/μm)

图7 SEI各向同性与各向异性下界面热量分布 (K/μm)

Fig.7 Thermal distribution of interfaces in SEI under isotropic and anisotropic conditions (K/μm)

图8 不同电解液浓度下的界面热量分布 (K/μm)

Fig.8 Thermal distribution of interfaces at different electrolyte concentrations (K/μm)

图9 电解液导热性能对界面热量分布的影响

Fig.9 Impact of electrolyte thermal conductivity on interface thermal distribution

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