Mathematical modeling of the lithium deposition overcharge reaction in lithium-ion batteries using carbon-based negative electrodes
Mathematical modeling of the lithium deposition overcharge reaction in lithium-ion batteries using carbon-based negative electrodes
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DOI：
10.1149/1.1392512
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发表时间：
1999-10-01
影响因子：
3.9
通讯作者：
White, RE
中科院分区：
文献类型：
--
作者：
Arora, P;Doyle, M;White, RE
导致容量衰减的过程严重影响锂离子电池的循环寿命和倍率行为。其中一个过程是负极过度充电导致锂沉积，这可能导致容量损失，包括活性锂和电解液的损失，并构成潜在的安全隐患。提出了一种预测各种操作条件下锂在负极上沉积的数学模型。模拟了Li(X)C6MLiPF6、2：1碳酸乙二酯/碳酸二甲酯、聚偏氟乙烯-六氟丙烯(PVF)\LiMn2O4电池，研究了锂沉积对嵌锂电极充电行为的影响。利用该模型研究了关键设计参数(颗粒尺寸、电极厚度和质量比)对锂沉积过充电反应的影响。对焦炭和石榴石基负极的模型预测进行了比较。模拟了电池在过充电前后的循环行为，以了解过充电对延长循环的影响。这些结果可以用来建立操作和设计限制，在这些限制范围内，这些电池固有的安全风险和容量衰减问题可以降至最低。(C)1999年电化学会。S0013-4651(99)01-088-5。版权所有。
The processes that lead to capacity fading affect severely the cycle life and rate behavior of lithium-ion cells. One such process is the overcharge of the negative electrode causing lithium deposition, which can lead to capacity losses including a loss of active lithium and electrolyte and represents a potential safety hazard. A mathematical model is presented to predict lithium deposition on the negative electrode under a variety of operating conditions. The Li(x)C6\1 M LiPF6, 2:1 ethylene carbonate/dimethyl carbonate, poly(vinylidene fluoride-hexalfuoropropylene) \LiMn2O4 cell is simulated to investigate the influence of lithium deposition on the charging behavior of intercalation electrodes. The model is used to study the effect of key design parameters (particle size, electrode thickness, and mass ratio) on the lithium deposition overcharge reaction. The model predictions are compared for coke and gaphite-based negative electrodes. The cycling behavior of these cells is simulated before and after overcharge to understand the effect of overcharge on extended cycling. These results can be used to establish operational and design limits within which safety hazards and capacity fade problems, inherent in these cells, can be minimized. (C) 1999 The Electrochemical Society. S0013-4651(99)01-088-5. All rights reserved.