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DOE OSTI · 1924473

Spatially resolved structural order in low-temperature liquid electrolyte

Xie, Yujun·Wang, Jingyang·Savitzky, Benjamin H.·Chen, Zheng·Wang, Yu·Betzler, Sophia·Bustillo, Karen·Persson, Kristin·Cui, Yi·Wang, Lin-Wang·Ophus, Colin·Ercius, Peter·Zheng, Haimei
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Abstract

Determining the degree and the spatial extent of structural order in liquids is a grand challenge. Here, we are able to resolve the structural order in a model organic electrolyte of 1 M lithium hexafluorophosphate (LiP 6 ) dissolved in 1:1 (v/v) ethylene carbonate:diethylcarbonate by developing an integrated method of liquid-phase transmission electron microscopy (TEM), cryo-TEM operated at -30°C, four-dimensional scanning TEM, and data analysis based on deep learning. This study reveals the presence of short-range order (SRO) in the high–salt concentration domains of the liquid electrolyte from liquid phase separation at the low temperature. Molecular dynamics simulations suggest the SRO originates from the Li + - (PF 6 - ) n (n > 2) local structural order induced by high LiP 6 salt concentration.

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Xie, Yujun, Wang, Jingyang, Savitzky, Benjamin H., Chen, Zheng, Wang, Yu, Betzler, Sophia, Bustillo, Karen, Persson, Kristin, Cui, Yi, Wang, Lin-Wang, Ophus, Colin, Ercius, Peter, Zheng, Haimei. 2023-01-13. Spatially resolved structural order in low-temperature liquid electrolyte. https://doi.org/10.1126/sciadv.adc9721

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