Conductivity and Transference Numbers in Lithium Salt-Doped Block Copolymeric Ionic Liquid Electrolytes

Zhang, Zidan; Krajniak, Jakub; Sass, Jacob; Sachar, Harnoor S.; Marioni, Nico; Duncan, Tyler J.; Ganesan, Venkat

doi:10.1021/acs.macromol.3c01791

Conductivity and Transference Numbers in Lithium Salt-Doped Block Copolymeric Ionic Liquid Electrolytes

Journal Article · Thu Nov 16 23:00:00 EST 2023 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.3c01791· OSTI ID:2405982

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University of Texas at Austin, TX (United States); University of Texas at Austin
Independent Researcher, Poznan (Poland)
University of Texas at Austin, TX (United States)

We present multiscale molecular dynamics simulation results comparing the conductivity and transference numbers in lithium salt-doped polymeric ionic liquids (PolyILs) and the lamellar phases of block copolymeric ionic liquids (coPolyILs). In both systems, the anion mobilities decreased with salt loading. Lithium ions exhibited negative mobilities in both systems, but the magnitudes decreased with an increase in salt concentrations. More interestingly, the anion mobilities were lower in the lamellar systems compared to homopolymers in magnitude, but the lithium ion mobilities and transference numbers were less negative in such systems. We examine the anion–cation and lithium–anion interactions in terms of radial distribution functions, coordination characteristics, and ion-pair relaxation timescales. Based on such analyses, we rationalize the salt concentration dependencies as a result of the interfacial interactions in lamellar systems and the competition between anion–cation and lithium–anion interactions in both PolyILs and coPolyILs. Altogether, the findings presented in this study demonstrate that the modified anion–cation and lithium–anion interactions in the microphase-separated coPolyILs may provide a strategy for realizing higher lithium ion transference numbers relative to the homopolymeric counterparts.

View Accepted Manuscript (DOE)

Research Organization:: University of Texas at Austin, TX (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Robert A. Welch Foundation

Grant/Contract Number:: SC0019272

OSTI ID:: 2405982

Alternate ID(s):: OSTI ID: 2406413

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 23 Vol. 56; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Ion Correlations and Partial Ionicities in the Lamellar Phases of Block Copolymeric Ionic Liquids

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Conductivity and Transference Numbers in Lithium Salt-Doped Block Copolymeric Ionic Liquid Electrolytes

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