Structural Electrolytes Based on Epoxy Resins and Ionic Liquids: A Molecular-Level Investigation

Baris Demir; Kit Ying Chan; Debra J. Searles

doi:10.1021/acs.macromol.0c00824

Structural Electrolytes Based on Epoxy Resins and Ionic Liquids: A Molecular-Level Investigation

Baris Demir, Kit Ying Chan, Debra J. Searles

Research output: Journal article publication › Journal article › Academic research › peer-review

22 Citations (Scopus)

Abstract

Structural electrolytes have both mechanical strength and ionic conductivity which make them attractive for applications in electrochemical devices and supercapacitors. In this work we used molecular dynamics simulations to investigate structural electrolytes composed of an ionic liquid in an epoxy polymer. The glass transition temperature, Young's modulus, diffusivity, and ionic conductivity of the highly cross-linked, epoxy-based structural electrolytes were found to vary significantly as a function of ionic liquid content, providing an option to improve the performance of devices. Our computational protocol provides a platform to elucidate the molecular-level interactions between epoxy polymers and ionic liquids, leading to an enhanced understanding of the multifunctional solid polymer electrolytes and enabling their development to meet future demands for energy storage devices.

Original language	English
Pages (from-to)	7635-7649
Number of pages	15
Journal	Macromolecules
Volume	53
Issue number	18
DOIs	https://doi.org/10.1021/acs.macromol.0c00824
Publication status	Published - 22 Sept 2020
Externally published	Yes

ASJC Scopus subject areas

Organic Chemistry
Polymers and Plastics
Inorganic Chemistry
Materials Chemistry

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10.1021/acs.macromol.0c00824

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title = "Structural Electrolytes Based on Epoxy Resins and Ionic Liquids: A Molecular-Level Investigation",

abstract = "Structural electrolytes have both mechanical strength and ionic conductivity which make them attractive for applications in electrochemical devices and supercapacitors. In this work we used molecular dynamics simulations to investigate structural electrolytes composed of an ionic liquid in an epoxy polymer. The glass transition temperature, Young's modulus, diffusivity, and ionic conductivity of the highly cross-linked, epoxy-based structural electrolytes were found to vary significantly as a function of ionic liquid content, providing an option to improve the performance of devices. Our computational protocol provides a platform to elucidate the molecular-level interactions between epoxy polymers and ionic liquids, leading to an enhanced understanding of the multifunctional solid polymer electrolytes and enabling their development to meet future demands for energy storage devices.",

author = "Baris Demir and Chan, {Kit Ying} and Searles, {Debra J.}",

note = "Funding Information: D.J.S. thanks the Australian Research Council for support of this project through the Discovery program (DP180104031). B.D. and D.J.S. acknowledge access to computational resources at the NCI National Facility through the National Computational Merit Allocation Scheme supported by the Australian Government. This work was also supported by resources provided by the Pawsey Supercomputing Centre with funding from the Australian Government and the Government of Western Australia. They also acknowledge support from the Queensland Cyber Infrastructure Foundation (QCIF) and the University of Queensland Research Computing Centre. Publisher Copyright: Copyright {\textcopyright} 2020 American Chemical Society.",

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AU - Searles, Debra J.

N1 - Funding Information: D.J.S. thanks the Australian Research Council for support of this project through the Discovery program (DP180104031). B.D. and D.J.S. acknowledge access to computational resources at the NCI National Facility through the National Computational Merit Allocation Scheme supported by the Australian Government. This work was also supported by resources provided by the Pawsey Supercomputing Centre with funding from the Australian Government and the Government of Western Australia. They also acknowledge support from the Queensland Cyber Infrastructure Foundation (QCIF) and the University of Queensland Research Computing Centre. Publisher Copyright: Copyright © 2020 American Chemical Society.

PY - 2020/9/22

Y1 - 2020/9/22

N2 - Structural electrolytes have both mechanical strength and ionic conductivity which make them attractive for applications in electrochemical devices and supercapacitors. In this work we used molecular dynamics simulations to investigate structural electrolytes composed of an ionic liquid in an epoxy polymer. The glass transition temperature, Young's modulus, diffusivity, and ionic conductivity of the highly cross-linked, epoxy-based structural electrolytes were found to vary significantly as a function of ionic liquid content, providing an option to improve the performance of devices. Our computational protocol provides a platform to elucidate the molecular-level interactions between epoxy polymers and ionic liquids, leading to an enhanced understanding of the multifunctional solid polymer electrolytes and enabling their development to meet future demands for energy storage devices.

AB - Structural electrolytes have both mechanical strength and ionic conductivity which make them attractive for applications in electrochemical devices and supercapacitors. In this work we used molecular dynamics simulations to investigate structural electrolytes composed of an ionic liquid in an epoxy polymer. The glass transition temperature, Young's modulus, diffusivity, and ionic conductivity of the highly cross-linked, epoxy-based structural electrolytes were found to vary significantly as a function of ionic liquid content, providing an option to improve the performance of devices. Our computational protocol provides a platform to elucidate the molecular-level interactions between epoxy polymers and ionic liquids, leading to an enhanced understanding of the multifunctional solid polymer electrolytes and enabling their development to meet future demands for energy storage devices.

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Structural Electrolytes Based on Epoxy Resins and Ionic Liquids: A Molecular-Level Investigation

Abstract

ASJC Scopus subject areas

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