Understanding Solvation Behavior of the Saturated Electrolytes with Small/Wide-Angle X-ray Scattering and Raman Spectroscopy

Small-angle X-ray Scattering/wide-angle X-ray Scattering (SAXS/WAXS) provides a global view of the liquid electrolyte structure while Raman could provide the local structures information. Combined both techniques, the short-range and long-range structures of liquid electrolytes could be captured.

Scientific Achievement

A combined SAXS/WAXS and Raman spectroscopy are employed to study the global and local solvation structure. This work demonstrates a method for detecting the structure of liquids, which will facilitate the study of structure-performance relationships and the screening of new electrolytes.

Significance and Impact

This work focuses on the microscopic understanding of liquid electrolytes by SAXS/WAXS and Raman. We highlight the unique capabilities of X-ray scattering and Raman for intra- and inter-molecular relationship and nanostructure characterization of electrolytes.

Research Details

  • We investigate the saturated LiTFSI dissolved in seven different organic solvents, including PC, THF, ACN, DMF, DME, Diglyme and Tetraglyme.
  • It is found that all the saturated electrolytes have a similar feature in SAXS/WAXS plots which possess a charge ordering peak at around 0.7~0.9 Å-1 and a subtle raised tail at low-q part.
  • The saturated PC, ACN and THF electrolytes have highly spatial limited TFSI- anions; the glyme-based electrolytes are close to the crystals, while the DMF electrolyte has relatively more freedom for TFSI- anions.

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https://doi.org/10.1021/acs.energyfuels.1c03328

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