Name: ESRA-NMR-0012: Nuclear Magnetic Resonance of Cell 261_01
Creator: Musanna Galib
Published: 2026-10-20
License: https://spdx.org/licenses/CC-BY-4.0

Researcher

Musanna Galib

ORCID

0000-0002-1735-7546

PI(s)

Betar M. Gallant

Project

Energy Storage Research Alliance

Sample ID

261_01 ← click to see all uploads with this sample ID

Publication DOI

Not published yet

Notes

Quantifies soluble SEI Li+ lost to the wash solvent. cyc_num_metadata.csv row 261_01: electrolyte=fsidme (LiFSI DME), cyc=6 (matches SI's '6 cycles for LiFSI DME' target), CE=93.62%, total capacity loss=0.7698 mAh. icp_Li and recovery_frac are blank in that row (not measured/recorded for this cell). Field strength (Larmor frequency of 7Li specifically) is left out — the SI only states the magnet's 1H frequency (500.34 MHz), not the 7Li observe frequency, and computing one from the gyromagnetic ratio would be an inferred, not a stated, number.

Upload Date (CDT)

2026-10-20 23:55:53

Upload ID

51226184-73f1-499b-92f3-0133454a2b31

How to Cite

1 — Cite the dataset paper

No publication DOI linked — add one via Edit to enable data citation.

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

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PI Name(s)

Project

Sample ID

Publication DOI

Notes

NMR fields

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Nucleus *

Nmr Experiment *

Field Strength Mhz

Solvent

Reference Standard

Temperature C

Num Scans

Quant Standard

Quant Standard Type

Quant Standard Umol

Quant Standard Conc Mm

Quant Standard Ppm

Quant Standard Nuclei

Relaxation Delay S

Pulse Angle Deg

Materials studied

Shared by all 3 datasets on 261_01. Edits apply to every one.

No materials declared yet.

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Storage LocationNERSC Community File System

Path

/global/cfs/cdirs/m4845/gsharing/_training/betar-m-gallant/energy-storage-research-alliance/261-01/B_WASHSOLVENT_Li_QUANTIFICATION/nmr/ESRA-NMR-0012/

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Linked Uploads

Other datasets with the same sample ID (261_01).

	Type	Group	Date	Project	Link
	NMR	Betar M. Gallant	2026-10-20 23:20	Energy Storage Research Alliance	same sample

Materials Studied 6 materials

Material	Family	Role(s)	Ion
Li Purchased / commercial Cell assembly Other notes: Rolled out to approximately 4x original chip size	Alkali metal Anode	Anode, Counter electrode	Li
Cu Purchased / commercial Electrode fabrication Wash solvent: acetone Wash solvent: Milli-Q water Wash solvent: 1 M HCl (aq), Fisher ACS Plus Vacuum dry duration: overnighttemperature: 50 °C	Current-collector metal Other	Working electrode, Current collector	—
Celgard 2325 Purchased / commercial Cell assembly Vacuum dry duration: overnighttemperature: 50 °C	Separator material Other	Separator	—
LP40 Confirmed for ICP rows 153_05/153_06 and 156_03/156_04 via cyc_num_metadata.csv; not confirmed for every row in the two ICP files included in this upload. Source: SI, Experimental Methods > Materials, p.17. Purchased / commercial Sigma Aldrich · battery grade, used as received	Carbonate Liquid	Electrolyte	Li
LiFSI DME Salt concentration / exact ratio not stated in the available SI pages — only the name "LiFSI DME" is used throughout. LiFSI itself: 99.9+%, Arkema, vacuum dried at 120 °C (SI, Materials, p.17). Used for cell 261_01 (cyc_num_metadata.csv: electrolyte=fsidme, cyc=6, matching the SI's '6 cycles for LiFSI DME' target). Made in this work Electrolyte preparation	Ether / glyme Liquid	Electrolyte	Li
LiFSI DME/TTE LHCE Salt concentration / DME:TTE ratio not stated in the available SI pages — only the qualitative name is used (e.g. Figure S3a caption). Used for cell 204_01 (cyc_num_metadata.csv: electrolyte=lhce, cyc=12, matching the SI's '12 cycles for LiFSI DME/TTE LHCE' target). Made in this work Electrolyte preparation	Localized high-concentration Liquid	Electrolyte	Li

Declared for sample 261_01 — shared by every dataset on this sample.

Experiment Metadata

Nucleus	7Li
Solvent	DME (electrolyte wash solvent, transferred directly to NMR tube)
Num Scans	8.0
Visibility	public
Cell Id Source	Filename 261_01_Li_1.csv, confirmed by cyc_num_metadata.csv row 261_01
Nmr Experiment	1D 7Li-NMR (solution, wash-solvent quantification)
Nucleus Source	SI, Experimental Methods > NMR, p.18 (7Li-NMR, 30 ppm width centered at 0 ppm — matches this file's ~±15 ppm range)
Solvent Source	cyc_num_metadata.csv, row 261_01 (wash=DME); SI, NMR, p.18
Institution Code	ESRA
Num Scans Source	SI, NMR, p.18 (16k FID size, 8 scans, 5 s relaxation delay)
Nmr Experiment Source	SI, NMR, p.18

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v1 (latest)

2026-10-21 04:56 UTC

published at upload · ESRA (automatic)

1 file · 393.0 kB

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