Structure and dynamics of dynamic covalent cross-linked PEOs and PEO/LiPF<sub>6</sub> electrolytes: a coarse-grained simulation study-Reference-Cited by-同舟云学术

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Structure and dynamics of dynamic covalent cross-linked PEOs and PEO/LiPF₆ electrolytes: a coarse-grained simulation study

Published:2023 Issue:20 Volume:25 Page:14530-14537
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wu Tongfei¹^ORCID,Zhang Ping¹

Affiliation:

1. Guangzhou Key Laboratory of Flexible Electronic Materials and Wearable Devices, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou, 510275, China

Abstract

A coarse-grained model is created for dynamic covalent cross-linked PEO16–LiPF6 with the assistance of machine learning. Based on MD simulations, the relationship between dynamic-bond reshuffling, ion transport and segmental dynamics is investigated.

Funder

Guangzhou Municipal Science and Technology Bureau

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00905J

Reference55 articles.

1. Recyclable, Self‐Healing Solid Polymer Electrolytes by Soy Protein‐Based Dynamic Network

2. Poly(ethylene oxide)-based electrolytes for lithium-ion batteries

3. Tailoring inorganic–polymer composites for the mass production of solid-state batteries

4. Complexes of alkali metal ions with poly(ethylene oxide)

5. Structures of the Polymer Electrolyte Complexes PEO6:LiXF6 (X = P, Sb), Determined from Neutron Powder Diffraction Data

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