Journal
ACS MACRO LETTERS
Volume 7, Issue 10, Pages 1149-1154Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsmacrolett.8b00594
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Funding
- Robert A. Welch Foundation [F-1599, F-1904]
- National Science Foundation [DMR-1721512, CBET-17069698]
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In this work, we use computer simulations to demonstrate that there may be limits to which polymer polarity alone can be used to influence the ionic conductivity of salt-doped polymer electrolytes. Specifically, we use coarse-grained molecular dynamics simulations to probe the effect of the polarity of the polymer electrolyte upon ion mobilities and conductivities of dissolved salts. At low polymer polarities, increasing the polymer dielectric constant reduces ionic aggregation and the resultant correlated ionic motion, and increases the ionic conductivity. At higher polymer polarities, polymer-polymer and polymer ion interactions slows polymer segmental dynamics, leading to a reduction in the conductivity of the electrolyte. As a consequence, ionic conductivity achieves an optimum at an intermediate polymer polarity.
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