On Electrolyte-Dependent Formation of Solid Electrolyte Interphase Film in Lithium-Ion Batteries: Strong Sensitivity to Small Structural Difference of Electrolyte Molecules
On Electrolyte-Dependent Formation of Solid Electrolyte Interphase Film in Lithium-Ion Batteries: Strong Sensitivity to Small Structural Difference of Electrolyte Molecules
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DOI：
10.1021/jp5018696
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发表时间：
2014-05
影响因子：
3.7
通讯作者：
N. Takenaka;Yuichi Suzuki;H. Sakai;M. Nagaoka
中科院分区：
文献类型：
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作者：
N. Takenaka;Yuichi Suzuki;H. Sakai;M. Nagaoka
锂离子电池（LIB）的性能提高对于有效地平衡与全球变暖相关的可再生能源的循环性质至关重要。目前使用液体电解质的LIB性能，例如，碳酸亚乙酯（EC）和碳酸亚丙酯（PC），强烈依赖于电极表面上稳定的固体电解质界面（SEI）膜。然而，这种依赖于电解质的SEI膜形成仍然没有完全理解。为了研究其微观特征，我们进行了原子反应模拟与最近开发的混合Monte Carlo（MC）/分子动力学（MD）反应方法，并首次曝光的原子图像的SEI膜的结构与实验证据和插图一致。还发现，致密的基于EC的SEI膜可以保护电解质免于还原，提供具有足够尺寸以供Li+阳离子通过的空腔。相比之下，PC基础...
The performance increase of the lithium-ion battery (LIB) is critical for effectively leveling the cyclic nature of renewable energy sources related to the global warming. The current LIB performance with liquid electrolytes, e.g., ethylene carbonate (EC) and propylene carbonate (PC), is strongly dependent on a stable solid electrolyte interphase (SEI) films on the electrode surfaces. However, such electrolyte-dependent SEI film formation still remains not-fully understood. To investigate its microscopic characteristics, we have performed the atomistic reaction simulations with the recently developed hybrid Monte Carlo (MC)/molecular dynamics (MD) reaction method, and have exposed for the first time the atomistic picture of the structure of the SEI films consistent with the experimental evidence and conjectures. It was also found that the dense EC-based SEI film can protect electrolyte from the reduction, providing the cavities which have sufficient size for passing of Li+ cations. In contrast, the PC-bas...