Journal of Physical Chemistry C, volume 127, issue 4, pages 1955-1964
Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt
Brigette A Fortuin
1, 2
,
Leire Meabe
1
,
Sergio Rodriguez Peña
1, 2
,
Yan Zhang
1
,
Lixin Qiao
1
,
Julen Etxabe
1
,
Lorena Garcia
1
,
H. Manzano
2
,
Michel Armand
1
,
María Martínez Ibañez
1
,
1
Centre for Cooperative Research on Alternative Energies (CIC energiGUNE), Basque Research and Technology Alliance (BRTA), Alava Technology Park, Albert Einstein 48, 01510Vitoria-Gasteiz, Spain
|
Publication type: Journal Article
Publication date: 2023-01-24
Journal:
Journal of Physical Chemistry C
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
The advent of Li-metal batteries has seen progress toward studies focused on the chemical modification of solid polymer electrolytes, involving tuning either polymer or Li salt properties to enhance the overall cell performance. This study encompasses chemically modifying simultaneously both polymer matrix and lithium salt by assessing ion coordination environments, ion transport mechanisms, and molecular speciation. First, commercially used lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt is taken as a reference, where F atoms become partially substituted by one or two H atoms in the −CF3 moieties of LiTFSI. These substitutions lead to the formation of lithium(difluoromethanesulfonyl)(trifluoromethanesulfonyl)imide (LiDFTFSI) and lithium bis(difluoromethanesulfonyl)imide (LiDFSI) salts. Both lithium salts promote anion immobilization and increase the lithium transference number. Second, we show that exchanging archetypal poly(ethylene oxide) (PEO) with poly(ε-caprolactone) (PCL) significantly changes charge carrier speciation. Studying the ionic structures of these polymer/Li salt combinations (LiTFSI, LiDFTFSI or LiDFSI with PEO or PCL) by combining molecular dynamics simulations and a range of experimental techniques, we provide atomistic insights to understand the solvation structure and synergistic effects that impact macroscopic properties, such as Li+ conductivity and transference number.
Top-30
Citations by journals
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Macromolecules
1 publication, 11.11%
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Journal of Polymer Research
1 publication, 11.11%
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Physical Chemistry Chemical Physics
1 publication, 11.11%
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Nano Energy
1 publication, 11.11%
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Electrochimica Acta
1 publication, 11.11%
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Advanced Materials
1 publication, 11.11%
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ChemElectroChem
1 publication, 11.11%
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Russian Chemical Reviews
1 publication, 11.11%
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Next Materials
1 publication, 11.11%
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1
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Citations by publishers
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1
2
3
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Elsevier
3 publications, 33.33%
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Wiley
2 publications, 22.22%
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American Chemical Society (ACS)
1 publication, 11.11%
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Springer Nature
1 publication, 11.11%
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Royal Society of Chemistry (RSC)
1 publication, 11.11%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 11.11%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Fortuin B. A. et al. Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt // Journal of Physical Chemistry C. 2023. Vol. 127. No. 4. pp. 1955-1964.
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Fortuin B. A., Meabe L., Peña S. R., Zhang Y., Qiao L., Etxabe J., Garcia L., Manzano H., Armand M., Martínez Ibañez M., Carrasco J. Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt // Journal of Physical Chemistry C. 2023. Vol. 127. No. 4. pp. 1955-1964.
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TY - JOUR
DO - 10.1021/acs.jpcc.2c07032
UR - https://doi.org/10.1021/acs.jpcc.2c07032
TI - Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt
T2 - Journal of Physical Chemistry C
AU - Fortuin, Brigette A
AU - Meabe, Leire
AU - Peña, Sergio Rodriguez
AU - Zhang, Yan
AU - Qiao, Lixin
AU - Etxabe, Julen
AU - Garcia, Lorena
AU - Manzano, H.
AU - Armand, Michel
AU - Martínez Ibañez, María
AU - Carrasco, Javier
PY - 2023
DA - 2023/01/24 00:00:00
PB - American Chemical Society (ACS)
SP - 1955-1964
IS - 4
VL - 127
SN - 1932-7447
SN - 1932-7455
ER -
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@article{2023_Fortuin,
author = {Brigette A Fortuin and Leire Meabe and Sergio Rodriguez Peña and Yan Zhang and Lixin Qiao and Julen Etxabe and Lorena Garcia and H. Manzano and Michel Armand and María Martínez Ibañez and Javier Carrasco},
title = {Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt},
journal = {Journal of Physical Chemistry C},
year = {2023},
volume = {127},
publisher = {American Chemical Society (ACS)},
month = {jan},
url = {https://doi.org/10.1021/acs.jpcc.2c07032},
number = {4},
pages = {1955--1964},
doi = {10.1021/acs.jpcc.2c07032}
}
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Fortuin, Brigette A., et al. “Molecular-Level Insight into Charge Carrier Transport and Speciation in Solid Polymer Electrolytes by Chemically Tuning Both Polymer and Lithium Salt.” Journal of Physical Chemistry C, vol. 127, no. 4, Jan. 2023, pp. 1955-1964. https://doi.org/10.1021/acs.jpcc.2c07032.