Browse Data ESRA-NMR-0007 NMR Public
Juran Noh
0000-0001-6712-3695
Yangang Liang
Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts
2025_JuranNoh_YangangLiang_ACS.Appl.Energy.Mater._5c02546 ← click to see all uploads from this cell
10.1021/acsaem.5c02546 ↗
2026-08-14 18:21:46
970e06f6-3f1f-4480-a3ba-640fe6b16d5e
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

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Linked Uploads

Type Group Date Project Link
MLIP Yangang Liang 2026-08-14 18:21 Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts same cell
EIS Yangang Liang 2026-08-14 18:21 Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts same cell
DFT Yangang Liang 2026-08-14 18:21 Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts same cell

Materials Studied 3 materials

Material Family Role(s) Ion
2,1,3-benzothiadiazole (BTZ)  · BTZ redox-active organic molecule
~3 M ROM in the non-aqueous redox-flow electrolyte
 Redox-active organic
Other
 Redox-active species Li
LiTFSI  · Lithium bis(trifluoromethanesulfonyl)imide Lithium imide salt
Other · as named
 Salt Li
m-xylene / acetonitrile mixed solvent  · MX/ACN solvent blend
MX/ACN about 0.3/0.7 v/v; ~5 mS/cm
 Aromatic-nitrile mixed solvent
Liquid · as named
 Electrolyte, Solvent Li

Declared for sample 2025_JuranNoh_YangangLiang_ACS.Appl.Energy.Mater._5c02546 — shared by every dataset on this sample.

Experiment Metadata

Nucleus ¹H (BTZ quantification by qNMR; MX/ACN solvent by PFG-NMR); ¹⁹F (LiTFSI/TFSI⁻ by qNMR and PFG-NMR); ⁷Li (Li⁺ diffusion by PFG-NMR)
Visibility public
Temperature C 6.0
Nmr Experiment qNMR: standard 1D (64 scans, 10 s relaxation delay); PFG-NMR: 13-interval stimulated echo with bipolar gradient pulses; 16 data points vs gradient strength (up to 16 steps); δ = 2 ms, Δ = 50 ms
Publication Doi 10.1021/acsaem.5c02546
Institution Code ESRA
Field Strength Mhz 400.0