The lithium ion batteries (LIB) are the most widely used power source for portable electronic devices, and many studies are carrying out to improve the performance of LIB. The fact that the solid-electrolyte interface (SEI) that forms at the anode surface as a result of electrolyte decomposition is closely related to the performance of LIB such as rate capability, cyclability and Columbic efficiency is widely known. There are reports that polymer encapsulated graphite like poly(acrylonitrile) and pyrolytic polyuria can improve the performance of LIB. (J. Power Sources 2002, 111, 350 / Electrochim. Acta 2005, 50, 4728)In this work, we carried out molecular dynamics (MD) simulations to form polymerized artificial SEI between graphite and electrolyte through thermal effect using reactive force field. We analyzed the mechanism for the formation of artificial SEI, and investigated what kind of electrolytes can create the polymerized SEI.

Formation of artificial solid electrolyte interface using reactive force field

248th National Meeting (2014)

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