Influence of Dielectric Constant on Ionic Transport in Polyether-Based Electrolytes

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 le...

Full description

Saved in:
Bibliographic Details
Published in:ACS macro letters 2017-12, Vol.6 (12), p.1362-1367
Main Authors: Wheatle, Bill K, Keith, Jordan R, Mogurampelly, Santosh, Lynd, Nathaniel A, Ganesan, Venkat
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:2161-1653
2161-1653
DOI:10.1021/acsmacrolett.7b00810