Understanding fluorine-free electrolytes via small-angle X-ray scattering

Qian, Kun; Yu, Zhou; Liu, Yuzi; Gosztola, David J.; Winans, Randall E.; Cheng, Lei; Li, Tao

doi:10.1016/j.jechem.2022.02.043

Understanding fluorine-free electrolytes via small-angle X-ray scattering

Journal Article · Sat Mar 05 00:00:00 EST 2022 · Journal of Energy Chemistry

DOI:https://doi.org/10.1016/j.jechem.2022.02.043· OSTI ID:1869189

Qian, Kun ^[1]; Yu, Zhou ^[2]; Liu, Yuzi ^[3]; ^[3]; ^[2]; Cheng, Lei ^[2]; ^[4]

Northern Illinois University, DeKalb, IL (United States)
Argonne National Laboratory (ANL), Lemont, IL (United States). Joint Center for Energy Storage Research (JCESR)
Argonne National Laboratory (ANL), Lemont, IL (United States). Center for Nanoscale Materials
Northern Illinois University, DeKalb, IL (United States); Argonne National Laboratory (ANL), Lemont, IL (United States). Joint Center for Energy Storage Research (JCESR)

Fluorine-free electrolytes have attracted great attention because of its low-cost and environmental friendliness. However, so far, little is known about the solution structures of these electrolytes. Here, we compare the solvation phenomenon of sodium tetraphenylborate (NaBPh₄) salt dissolved in organic solvents of propylene carbonate (PC), 1,2-dimethoxyethane (DME), acetonitrile (ACN) and tetrahydrofuran (THF). Small-angle X-ray scattering (SAXS) reveals a unique two-peak structural feature in this salt concentrated PC electrolyte, while solutions using other solvents only have one scattering peak. Molecular dynamics (MD) simulations further reveal that there are anion-based clusters in addition to the short-range charge ordering in the concentrated NaBPh4/PC electrolyte. Raman spectroscopy confirms the existence of considerable contact ion pairs (CIPs). Here, this work emphasizes the importance of global and local structural analysis, which will provide valuable clues for understanding the structure performance relationship of electrolytes.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Lemont, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1869189

Alternate ID(s):: OSTI ID: 1962174

Journal Information:: Journal of Energy Chemistry, Journal Name: Journal of Energy Chemistry Vol. 70; ISSN 2095-4956

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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25 ENERGY STORAGE
fluorine-free electrolytes
small-angle X-ray scattering
sodium tetraphenylborate
sodium-ion batteries
solvation structures

Understanding fluorine-free electrolytes via small-angle X-ray scattering

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