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RESEARCH PRODUCT
Dynamic heterogeneity in polymer electrolytes. Comparison between QENS data and MD simulations
Oleg BorodinR E LechnerStefano PasseriniValeria ArrighiGrant D. SmithR. FergusonRoberto TrioloAlessandro TrioloMarina Mastragostinosubject
Materials scienceEthylene oxidePolymer electrolytesMelting temperaturechemistry.chemical_elementThermodynamicsElectrolyteNeutron scatteringCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsIonchemistry.chemical_compoundMolecular dynamicschemistryPhysical chemistryLithiumElectrical and Electronic Engineeringdescription
Abstract We have investigated the dynamics of poly(ethylene oxide) (PEO) lithium-based salt electrolytes (PEO–LiBETI) using quasi-elastic neutron scattering (QENS). Measurements were carried out on the spectrometer NEAT (HMI, Berlin) above the melting temperature of PEO ( T m ≈65°C). The experimental data fully support the Molecular Dynamics (MD)-derived model of a heterogeneous dynamics in dilute PEO-salt electrolytes. In agreement with MD simulations carried out on PEO–LiPF 6 , we find evidences for the existence of two dynamic processes: (a) a faster process that is described in terms of the pure PEO dynamics and (b) a second component which we identify with the slower motion of the PEO chains involved in PEO–Li + complexes. At this stage, due to the differences in PEO molecular weight and the anion chemical nature, the agreement with MD simulations is qualitative.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-07-01 | Physica B: Condensed Matter |