Browse Data ESRA-NMR-0001 NMR Public
Katherine Steinberg
0000-0002-8232-7714
Betar Gallant
Deciphering Unresolved Materials in Quantitative Analysis of Lithium Metal Solid Electrolyte Interphases
2025_KatherineSteinberg_BetarGallant_ACS.Energy.Lett._5c01274 ← click to see all uploads with this sample ID
10.1021/acsenergylett.5c01274 ↗
2026-08-12 21:52:03
e4f9d892-b173-47dd-8008-c932886e087b
How to Cite
1 — Cite the dataset paper
↗ View paper
2 — Cite the ESRA platform
Galib, M. et al. (2026). ESRA: Energy Storage Research Assistant. Argonne National Laboratory. https://github.com/MusannaGalib/esra-platform
CC BY 4.0  ·  Data shared under Creative Commons Attribution 4.0

Storage LocationNERSC Community File System

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Linked Uploads

Other datasets with the same sample ID (2025_KatherineSteinberg_BetarGallant_ACS.Energy.Lett._5c01274).

Type Group Date Project Link
SEM Betar Gallant 2026-08-14 12:55 Deciphering Unresolved Materials in Quantitative Analysis of Lithium Metal Solid Electrolyte Interphases same sample
ICP Betar Gallant 2026-08-12 21:52 Deciphering Unresolved Materials in Quantitative Analysis of Lithium Metal Solid Electrolyte Interphases same sample
GC Betar Gallant 2026-08-12 21:51 Deciphering Unresolved Materials in Quantitative Analysis of Lithium Metal Solid Electrolyte Interphases same sample
Cycling Betar Gallant 2026-08-12 21:51 Deciphering Unresolved Materials in Quantitative Analysis of Lithium Metal Solid Electrolyte Interphases same sample

Materials Studied 6 materials

Material Family Role(s) Ion
1 M LiPF6 in EC/DEC (LP40)  · LP40 carbonate electrolyte
Purchased / commercial Sigma Aldrich (battery grade)
Carbonate
Liquid
 Electrolyte Li
1 M LiFSI in DME  · Ether electrolyte
Made in this work Electrolyte preparation
  1. Dry — Dry DME over 4 Å molecular sieves
    solvent: 1,2-dimethoxyethane (DME, 99+%, TCI)duration: at least 48 h
    SI p. 17, Experimental Methods > Materials
  2. Vacuum dry — Vacuum dry LiFSI salt
    equipment: glass vacuum oven (Buchi Corp)temperature: 120 °C
    SI p. 17, Experimental Methods > Materials
  3. Dissolve — Formulate to the stated composition
    solvent: DMEatmosphere: Ar gloveboxconcentration: 1 M LiFSIglovebox o2 ppm: 0.1glovebox h2o ppm: 0.1
    Main paper pp. 3-4 (composition) + SI p. 17 (materials/glovebox); explicit mixing time/order not reported
 Ether / glyme
Liquid
 Electrolyte Li
0.6 M LiDFOB + 0.2 M LiBF4 in FEC/DEC (1:2)  · Fluorinated borate electrolyte
Made in this work Electrolyte preparation
  1. Dry — Dry FEC and DEC over 4 Å molecular sieves
    solvent: FEC (>98.0%, TCI) / DEC (99+%, Thermo Fisher)duration: at least 48 h
    SI p. 17, Experimental Methods > Materials
  2. Vacuum dry — Vacuum dry LiDFOB and LiBF4
    equipment: glass vacuum oven (Buchi Corp)temperature: 120 °C
    SI p. 17, Experimental Methods > Materials
  3. Dissolve — Formulate to the stated composition
    solvent: FEC/DEC 1:2atmosphere: Ar gloveboxconcentration: 0.6 M LiDFOB + 0.2 M LiBF4glovebox o2 ppm: 0.1glovebox h2o ppm: 0.1
    Main paper pp. 3-4 (composition) + SI p. 17 (materials/glovebox); explicit mixing time/order not reported
 Carbonate
Liquid
 Electrolyte Li
LiFSI in DME/TTE  · Localized high-concentration electrolyte
Made in this work Electrolyte preparation
  1. Dry — Dry DME and TTE over 4 Å molecular sieves
    solvent: DME (99+%, TCI) / TTE (95+%, TCI)duration: at least 48 h
    SI p. 17, Experimental Methods > Materials
  2. Vacuum dry — Vacuum dry LiFSI salt
    equipment: glass vacuum oven (Buchi Corp)temperature: 120 °C
    SI p. 17, Experimental Methods > Materials
  3. Dissolve — Formulate to the stated composition
    solvent: DME/TTEatmosphere: Ar gloveboxglovebox o2 ppm: 0.1glovebox h2o ppm: 0.1composition ratio: LiFSI:DME:TTE = 1:1.2:3 molar ratio
    Main paper pp. 3-4 (composition) + SI p. 17 (materials/glovebox); explicit mixing time/order not reported
 Localized high-concentration
Liquid
 Electrolyte Li
Li metal  · Lithium metal
SEI quantified by GC, ICP and NMR titration
Purchased / commercial MTI Corp · 99.9% Sample preparation
  1. Calender — Roll Li chips out to ~4x their original size in a plastic bag
    atmosphere: Ar gloveboxglovebox o2 ppm: 0.1glovebox h2o ppm: 0.1
    SI, Experimental Methods, Materials
 Alkali metal
Anode
 Anode Li
Cu foil  · Copper working electrode
Purchased / commercial Sample preparation
  1. Wash — Sequential clean
    solvent: acetone, then Milli-Q water, then 1 M HCl, then several Milli-Q water rinses
    SI, Experimental Methods, Materials
  2. Vacuum dry
    duration: overnightequipment: heated glovebox antechambertemperature: 50 °C
    SI, Experimental Methods, Materials
 Current-collector metal
Other
 Working electrode, Current collector —

Declared for sample 2025_KatherineSteinberg_BetarGallant_ACS.Energy.Lett._5c01274 — shared by every dataset on this sample.

Experiment Metadata

Nucleus ¹H (separator extract in DMSO-d6); ¹⁹F (wash solvent anions; LiF); ⁷Li (wash solvent cations)
Solvent DMSO-d6 for separator NMR; DMC or DME for wash solvent; water for LiF
Visibility public
Temperature C 6.0
Nmr Experiment ¹⁹F: 64k FID, 32 scans, 8 s relaxation delay, 20 ppm SW (−77 ppm LiPF₆; 52 ppm LiFSI; −150 ppm LiDFOB/LiBF₄); ⁷Li: 16k FID, 8 scans, 5 s relaxation delay, 30 ppm SW (0 ppm); LiF ¹⁹F: 64k FID, 32 scans, 8 s realization delay, 20 ppm SW (−120 ppm)
Publication Doi 10.1021/acsenergylett.5c01274
Institution Code ESRA
Field Strength Mhz 500.34
Reference Standard none

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