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Title: Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes

Abstract

Here, a novel methodology is reported on the use of internally referenced diffusion-ordered spectroscopy (IR-DOSY) in divulging the solution structure of lithium-ion battery electrolytes. Toluene was utilized as the internal reference for 1H-DOSY analysis due to its exceptionally low donor number and reasonable solubility in various electrolytes. With the introduction of the internal reference, the solvent coordination ratio of different species in the electrolytes can be easily determined by 1H-DOSY or 7Li-DOSY. This new technique was applied to different carbonate electrolytes, and the results were consistent with a Fourier transform infrared (FTIR) analysis. Compared to conventional vibrational spectroscopy, this IR-DOSY technique avoids the complicated deconvolution of the spectrum and allows determination of the solvent coordination ratio of different species in electrolyte systems with two or more organic solvents.

Authors:
ORCiD logo [1];  [1];  [1]; ORCiD logo [1]; ORCiD logo [2]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States); Imam Abdulrahman Bin Faisal Univ. (IAU), Dammam (Saudi Arabia); Stanford Univ., Stanford, CA (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1474141
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 9; Journal Issue: 13; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Su, Chi -Cheung, He, Meinan, Amine, Rachid, Chen, Zonghai, and Amine, Khalil. Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes. United States: N. p., 2018. Web. doi:10.1021/acs.jpclett.8b01359.
Su, Chi -Cheung, He, Meinan, Amine, Rachid, Chen, Zonghai, & Amine, Khalil. Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes. United States. https://doi.org/10.1021/acs.jpclett.8b01359
Su, Chi -Cheung, He, Meinan, Amine, Rachid, Chen, Zonghai, and Amine, Khalil. Thu . "Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes". United States. https://doi.org/10.1021/acs.jpclett.8b01359. https://www.osti.gov/servlets/purl/1474141.
@article{osti_1474141,
title = {Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes},
author = {Su, Chi -Cheung and He, Meinan and Amine, Rachid and Chen, Zonghai and Amine, Khalil},
abstractNote = {Here, a novel methodology is reported on the use of internally referenced diffusion-ordered spectroscopy (IR-DOSY) in divulging the solution structure of lithium-ion battery electrolytes. Toluene was utilized as the internal reference for 1H-DOSY analysis due to its exceptionally low donor number and reasonable solubility in various electrolytes. With the introduction of the internal reference, the solvent coordination ratio of different species in the electrolytes can be easily determined by 1H-DOSY or 7Li-DOSY. This new technique was applied to different carbonate electrolytes, and the results were consistent with a Fourier transform infrared (FTIR) analysis. Compared to conventional vibrational spectroscopy, this IR-DOSY technique avoids the complicated deconvolution of the spectrum and allows determination of the solvent coordination ratio of different species in electrolyte systems with two or more organic solvents.},
doi = {10.1021/acs.jpclett.8b01359},
journal = {Journal of Physical Chemistry Letters},
number = 13,
volume = 9,
place = {United States},
year = {Thu Jun 14 00:00:00 EDT 2018},
month = {Thu Jun 14 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 16 works
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Figures / Tables:

Figure 1 Figure 1: 13C NMR spectra for EMC, PC, and their binary solvent mixtures with changing molar ratio of LiPF6. Attributions of individual 13C signals and the displacements in 13C chemical shifts are labeled.

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