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Publications - ISI Article

Lithium-Ion Transport Properties in DMSO and TEGDME:Exploring the Influence of Solvation through MolecularDynamics and Experiments

Publications - ISI Article

Lithium-Ion Transport Properties in DMSO and TEGDME:Exploring the Influence of Solvation through MolecularDynamics and Experiments

This study investigates aprotic electrolytes using nuclear magnetic resonance spectroscopy, electrochemical methods, and molecular dynamics modeling. Focusing on LiTFSI solutions in DMSO and TEGDME, it reveals differences in structural and solvation behavior, emphasizing temperature effects on ion-solvent interactions.

This study explores the properties of aprotic electrolytes via the application of experimental methods, including nuclear magnetic resonance spectroscopy and electrochemical techniques, along with molecular dynamic modeling.

 

The aim is to provide a quantitative description of the physico-chemical properties of two well-established electrolytes (case studies), each exhibiting significantly distinct dielectric properties: a LiTFSI (Lithium bis(trifluoromethanesulfonyl)imide) solution in dimethyl sulfoxide (DMSO, dielectric constant ε=46.68) and a LiTFSI solution in tetraethylene glycol dimethyl ether (TEGDME, ε=7.71).

 

We obtained a comprehensive insight into the properties of the electrolytes at both the macroscopic-collective and molecular levels with particular emphasis on the interactions between the Li ions and solvent molecules. We discovered remarkable disparities in the structural arrangements, solvation behaviors, and bulk-related properties of these electrolyte systems, particularly in response to temperature changes.

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Rif.RSE​

24008864

Destination​

ChemSusChem, Vol. 17, Issue 22, 19 Giugno 2024

Publication Date

19 June 2024

Authors​

V. Piacentini, S. Brutti, E. Bodo (Università Roma La Sapienza), C. Simari, I. Nicotera (Università della Calabria), A. Gentile, S. Marchionna (RSE S.p.A.)

Publication Type

ISI Article

Projects

Electrochemical and thermal storage technologies (STORAGE)

Target​

Press & Media Research

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