Journal
ACS MACRO LETTERS
Volume 8, Issue 9, Pages 1096-1101Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsmacrolett.9b00478
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Funding
- Robert A. Welch Foundation [F1599]
- National Science Foundation [CBET-17069698, DMR-1721512]
- Center for Materials for Water and Energy Systems, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0019272]
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We present the results of a multiscale simulation framework investigating the ion transport mechanisms in multicomponent polymerized ionic liquids. Three different classes of polymeric ionic liquid systems, namely, random copolymers, lamellae forming block copolymers, and homopolymers, are constructed at the coarse-grained scale, and their atomistic counterparts are derived by using a reverse mapping method. Using such a framework, we investigate the influence of morphology on ion transport properties of such polymerized ionic liquids. Our results for ion mobilities are in qualitative agreement with experimental observations. Further analysis of random copolymer and block copolymer systems reveal that the reduced ion mobilities in such systems arise from the influence of architecture and morphology on ion coordination and intramolecular hopping events.
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