Physical Chemistry Chemical Physics, volume 18, issue 14, pages 9504-9513

Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations.

Sun Bing ¹

Mindemark Jonas ¹

V Morozov Evgeny ²

Costa Luciano T ³

Bergman Martin ⁴

Johansson Patrik ⁴

Fang Yuan ²

Furo Istvan ²

Brandell Daniel ¹

Hide authors affiliations Show authors affiliations: 4 affiliations

Department of Chemistry – Ångström Laboratory, Uppsala University, Box 538, Uppsala, Sweden |

Division of Applied Physical Chemistry, Department of Chemistry, KTH Royal Institute of Technology, Teknikringen 36, Stockholm, Sweden |

Instituto de Química – Departamento de Físico-Química, Universidade Federal Fluminense, Outeiro de São João Batista s/n, CEP 24020-150 Niterói, RJ, Brazil |

⁴

Department of Physics, Chalmers University of Technology, SE-41296, Gothenburg, Sweden |

Publication type: Journal Article

Publication date: 2016-03-09

Royal Society of Chemistry (RSC)

Journal: Physical Chemistry Chemical Physics

Quartile SCImago

Quartile WOS

Impact factor: 3.3

ISSN: 14639076, 14639084

DOI: 10.1039/C6CP00757K

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Physical and Theoretical Chemistry

General Physics and Astronomy

Abstract

Among the alternative host materials for solid polymer electrolytes (SPEs), polycarbonates have recently shown promising functionality in all-solid-state lithium batteries from ambient to elevated temperatures. While the computational and experimental investigations of ion conduction in conventional polyethers have been extensive, the ion transport in polycarbonates has been much less studied. The present work investigates the ionic transport behavior in SPEs based on poly(trimethylene carbonate) (PTMC) and its co-polymer with ε-caprolactone (CL) via both experimental and computational approaches. FTIR spectra indicated a preferential local coordination between Li(+) and ester carbonyl oxygen atoms in the P(TMC20CL80) co-polymer SPE. Diffusion NMR revealed that the co-polymer SPE also displays higher ion mobilities than PTMC. For both systems, locally oriented polymer domains, a few hundred nanometers in size and with limited connections between them, were inferred from the NMR spin relaxation and diffusion data. Potentiostatic polarization experiments revealed notably higher cationic transference numbers in the polycarbonate based SPEs as compared to conventional polyether based SPEs. In addition, MD simulations provided atomic-scale insight into the structure-dynamics properties, including confirmation of a preferential Li(+)-carbonyl oxygen atom coordination, with a preference in coordination to the ester based monomers. A coupling of the Li-ion dynamics to the polymer chain dynamics was indicated by both simulations and experiments.

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Citations by publishers

	5 10 15 20 25 30 35 40
American Chemical Society (ACS)	American Chemical Society (ACS), 37, 29.37% American Chemical Society (ACS) 37 publications, 29.37%
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Wiley	Wiley, 15, 11.9% Wiley 15 publications, 11.9%
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Springer Nature	Springer Nature, 7, 5.56% Springer Nature 7 publications, 5.56%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 0.79% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 0.79%
SAGE	SAGE, 1, 0.79% SAGE 1 publication, 0.79%
Frontiers Media S.A.	Frontiers Media S.A., 1, 0.79% Frontiers Media S.A. 1 publication, 0.79%
Materials Research Society	Materials Research Society, 1, 0.79% Materials Research Society 1 publication, 0.79%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 0.79% American Association for the Advancement of Science (AAAS) 1 publication, 0.79%
	5 10 15 20 25 30 35 40

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Sun B. et al. Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations. // Physical Chemistry Chemical Physics. 2016. Vol. 18. No. 14. pp. 9504-9513.

GOST all authors (up to 50) Copy

Sun B., Mindemark J., V Morozov E., Costa L. T., Bergman M., Johansson P., Fang Y., Furo I., Brandell D. Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations. // Physical Chemistry Chemical Physics. 2016. Vol. 18. No. 14. pp. 9504-9513.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1039/C6CP00757K

UR - https://doi.org/10.1039%2FC6CP00757K

TI - Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations.

T2 - Physical Chemistry Chemical Physics

AU - V Morozov, Evgeny

AU - Johansson, Patrik

AU - Sun, Bing

AU - Mindemark, Jonas

AU - Costa, Luciano T

AU - Bergman, Martin

AU - Fang, Yuan

AU - Furo, Istvan

AU - Brandell, Daniel

PY - 2016

DA - 2016/03/09 00:00:00

PB - Royal Society of Chemistry (RSC)

SP - 9504-9513

IS - 14

VL - 18

SN - 1463-9076

SN - 1463-9084

ER -

BibTex |

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BibTex Copy

@article{2016_Sun,

author = {Evgeny V Morozov and Patrik Johansson and Bing Sun and Jonas Mindemark and Luciano T Costa and Martin Bergman and Yuan Fang and Istvan Furo and Daniel Brandell},

title = {Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations.},

journal = {Physical Chemistry Chemical Physics},

year = {2016},

volume = {18},

publisher = {Royal Society of Chemistry (RSC)},

month = {mar},

url = {https://doi.org/10.1039%2FC6CP00757K},

number = {14},

pages = {9504--9513},

doi = {10.1039/C6CP00757K}

}

MLA

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Sun, Bing, et al. “Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations..” Physical Chemistry Chemical Physics, vol. 18, no. 14, Mar. 2016, pp. 9504-9513. https://doi.org/10.1039%2FC6CP00757K.

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Publisher

Royal Society of Chemistry (RSC)

Journal

Physical Chemistry Chemical Physics

Quartile SCImago

Quartile WOS

Impact factor

3.3

ISSN

14639076 (Print)
14639084 (Electronic)

Labs

Laboratory of Molecular Spectroscopy and Analysis

Profiles

Morozov, Evgeny V