Dynamic heterogeneity in polymer electrolytes. Comparison between QENS data and MD simulations

A. Triolo, V. Arrighi, R. Triolo, S. Passerini, M. Mastragostino, R. E. Lechner, R. Ferguson, O. Borodin, G. D. Smith

Research output: Contribution to journalArticle

29 Citations (Scopus)

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 (Tm˜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-LiPF6, 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. © 2001 Elsevier Science B.V.

Original languageEnglish
Pages (from-to)163-167
Number of pages5
JournalPhysica B: Condensed Matter
Volume301
Issue number1-2
DOIs
Publication statusPublished - Jul 2001
Event5th International Workshop on Quasi-Elastic Neutron Scattering - Edinburgh, Scotland, United Kingdom
Duration: 31 Aug 2000 → …

Keywords

  • Dynamics
  • Molecular dynamics simulations
  • Polymer electrolytes
  • Quasi-elastic neutron scattering

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