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Influence of Dielectric Constant on Ionic Transport in Polyether-Based Electrolytes
B.K. Wheatle, J.R. Keith, , N.A. Lynd, V. Ganesan
Published in American Chemical Society
2017
Volume: 6
   
Issue: 12
Pages: 1362 - 1367
Abstract
We use all-atom molecular dynamics simulations to study the effect of polymer polarity, as quantified by the dielectric constant, on the transport properties of lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) doped polyethers. Our results indicate that increasing the host dielectric constant leads to a decrease in ionic cluster sizes and reduction in correlated motion of oppositely charged ions. This causes the ionic conductivity to more closely approach the Nernst-Einstein limit in which ionic conductivity is only limited by the diffusivities of Li+ and TFSI-. We compare our results to recent experimental observations which demonstrate similar qualitative trends in host polarity. © 2017 American Chemical Society.
About the journal
JournalData powered by TypesetACS Macro Letters
PublisherData powered by TypesetAmerican Chemical Society
ISSN21611653