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- W3094012732 abstract "Interfacial behavior of salt on the Li metal anode surface plays an essential role in the chemical stability of electrolytes for next-generation energy storage technologies. The poor chemical stability of LiPF6 salt on anodes decreases battery performance and leads to safety issues. Herein, we investigate the reactivity and stability of a novel benzimidazole-based Li salt, lithium 5-cyano-bis(trifluoroborane)-2-(trifluoromethyl) benzimidazolide (LiBTCTB), mixed with binary solvents on Li metal anode surfaces using ab initio molecular dynamics simulations. Its performance is compared with that of LiPF6. LiBTCTB is also explored as co-salt with LiPF6 with respect to electrolyte reactivity and stability on the anode surface. The results demonstrate that LiBTCTB facilitates the formation of solid-electrolyte interphase major component(s) on the anode surface much faster than solely LiPF6 containing electrolytes, minimizing electrolyte decomposition on the anode surface when it is mixed with LiPF6 salt. Furthermore, LiBTCTB salt-based electrolytes with either purely LiBTCTB or combined with LiPF6 increase the stability of Li anode surfaces, thereby enhancing the overall electrochemical performance of Li-ion batteries." @default.
- W3094012732 created "2020-10-29" @default.
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- W3094012732 date "2020-10-14" @default.
- W3094012732 modified "2023-10-14" @default.
- W3094012732 title "Elucidating the Improved Electrolyte Stability with Novel Benzimidazole Salt on the Li Anode Surface: Insights into Interfacial Reactions" @default.
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- W3094012732 doi "https://doi.org/10.1021/acs.jpcc.0c07224" @default.
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