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Solid-state lithium-ion batteries (SSLIBs) are considered to be the newgeneration of devices for energy storage due to better performance and safety.Poly (ethylene oxide) (PEO) based material becomes one of the best candidate ofsolid electrolytes, while its thermal conductivity is crucial to heatdissipation inside batteries. In this work, we study the thermal conductivityof PEO by molecular dynamics simulation. By enhancing the structure order,thermal conductivity of aligned crystalline PEO is obtained as high as 60 W/m-Kat room temperature, which is two orders higher than the value (0.37 W/m-K) ofamorphous structure. Interestingly, thermal conductivity of ordered structureshows a significant stepwise negative temperature dependence, which isattributed to the temperature-induced morphology change. Our study offersuseful insights into the fundamental mechanisms that govern the thermalconductivity of PEO but not hinder the ionic transport, which can be used forthe thermal management and further optimization of high-performance SSLIBs.

Superior thermal conductivity of poly (ethylene oxide) for solid-state electrolytes: a molecular dynamics study