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Characterization of the Solid Electrolyte Interphase at the Li Metal–Ionic Liquid Interface

机译：Characterization of the Solid Electrolyte Interphase at the Li Metal–Ionic Liquid Interface

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摘要

The solid electrolyte interphase (SEI) forms on electrode surfaces from decomposition of the electrolyte. However, there is almost no atomistic detail of SEI formation on Li metal anode, a major obstacle in understanding the highly complex battery electrochemistry sufficiently to design high performance batteries. Herein, a realistic atomistic model (39 000 atoms) for the SEI formation at the interface between the Li metal anode and ionic liquid electrolyte using reactive molecular dynamics simulations is provided. A ≈10 nm thick SEI composed of a dense ordered inorganic layer near the Li-metal anode and a porous organic layer near the electrolyte is found. These results provide new insights into a deeper understanding of the complex SEI that should be useful in developing a new generation of highly efficient batteries.

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