Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend
LT Costa, B Sun, F Jeschull, D Brandell - The Journal of chemical …, 2015 - pubs.aip.org
This paper presents atomistic molecular dynamics simulation studies of lithium bis
(trifluoromethane) sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-
TFSI and poly (ethylene oxide)(PEO), which is a promising electrolyte material for Li-and Li-
ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and
423 K, for a Li: ether oxygen ratio of 1: 16, and for PEO chains with 26 EO repeating units.
Li+ coordination and transportation were studied in the ternary electrolyte system, ie, PEO …
(trifluoromethane) sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-
TFSI and poly (ethylene oxide)(PEO), which is a promising electrolyte material for Li-and Li-
ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and
423 K, for a Li: ether oxygen ratio of 1: 16, and for PEO chains with 26 EO repeating units.
Li+ coordination and transportation were studied in the ternary electrolyte system, ie, PEO …
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