Chemistry of Materials, volume 28, issue 23, pages 8764-8773

Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6

Christian Dietrich ¹

Marcel Sadowski ²

Sabrina Sicolo ²

Dominik A. Weber ¹

Stefan J. Sedlmaier ³

Kai S Weldert ¹

Sylvio Indris ⁴

Karsten Albe ²

Jürgen Janek ^{1, 3}

Wolfgang G. Zeier ¹

Hide authors affiliations Show authors affiliations: 4 affiliations

Institute of Physical Chemistry, Justus-Liebig-University Giessen, Heinrich-Buff-Ring 17, D-35392 Giessen, Germany |

Institute of Materials Science, Technische Universität Darmstadt, Jovanka-Bontschits-Strasse 2, D-64287 Darmstadt, Germany |

BELLA-Batteries and Electrochemistry Laboratory, Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany |

⁴

Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany |

Publication type: Journal Article

Publication date: 2016-11-18

American Chemical Society (ACS)

Journal: Chemistry of Materials

Quartile SCImago

Quartile WOS

Impact factor: 8.6

ISSN: 08974756, 15205002

DOI: 10.1021/acs.chemmater.6b04175

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Materials Chemistry

General Chemistry

General Chemical Engineering

Abstract

Glassy, glass–ceramic, and crystalline lithium thiophosphates have attracted interest in their use as solid electrolytes in all-solid-state batteries. Despite similar structural motifs, including PS43–, P2S64–, and P2S74– polyhedra, these materials exhibit a wide range of possible compositions, crystal structures, and ionic conductivities. Here, we present a combined approach of Bragg diffraction, pair distribution function analysis, Raman spectroscopy, and 31P magic angle spinning nuclear magnetic resonance spectroscopy to study the underlying crystal structure of Li4P2S6. In this work, we show that the material crystallizes in a planar structural arrangement as a glass ceramic composite, explaining the observed relatively low ionic conductivity, depending on the fraction of glass content. Calculations based on density functional theory provide an understanding of occurring diffusion pathways and ionic conductivity of this Li+ ionic conductor.

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Advanced Energy Materials	Advanced Energy Materials, 2, 1.71% Advanced Energy Materials 2 publications, 1.71%
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Chemical Reviews	Chemical Reviews, 2, 1.71% Chemical Reviews 2 publications, 1.71%
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Physical Review Materials	Physical Review Materials, 1, 0.85% Physical Review Materials 1 publication, 0.85%
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences	Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 1, 0.85% Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 1 publication, 0.85%
Functional Materials Letters	Functional Materials Letters, 1, 0.85% Functional Materials Letters 1 publication, 0.85%
Journal of Solid State Electrochemistry	Journal of Solid State Electrochemistry, 1, 0.85% Journal of Solid State Electrochemistry 1 publication, 0.85%
Science China Materials	Science China Materials, 1, 0.85% Science China Materials 1 publication, 0.85%
Journal of Electroceramics	Journal of Electroceramics, 1, 0.85% Journal of Electroceramics 1 publication, 0.85%
ACS Energy Letters	ACS Energy Letters, 1, 0.85% ACS Energy Letters 1 publication, 0.85%
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	2 4 6 8 10 12 14 16

Citations by publishers

	5 10 15 20 25 30 35 40 45
American Chemical Society (ACS)	American Chemical Society (ACS), 43, 36.75% American Chemical Society (ACS) 43 publications, 36.75%
Elsevier	Elsevier, 23, 19.66% Elsevier 23 publications, 19.66%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 18, 15.38% Royal Society of Chemistry (RSC) 18 publications, 15.38%
Wiley	Wiley, 17, 14.53% Wiley 17 publications, 14.53%
Springer Nature	Springer Nature, 6, 5.13% Springer Nature 6 publications, 5.13%
IOP Publishing	IOP Publishing, 3, 2.56% IOP Publishing 3 publications, 2.56%
Walter de Gruyter	Walter de Gruyter, 2, 1.71% Walter de Gruyter 2 publications, 1.71%
American Physical Society (APS)	American Physical Society (APS), 1, 0.85% American Physical Society (APS) 1 publication, 0.85%
The Royal Society	The Royal Society, 1, 0.85% The Royal Society 1 publication, 0.85%
World Scientific	World Scientific, 1, 0.85% World Scientific 1 publication, 0.85%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 0.85% American Association for the Advancement of Science (AAAS) 1 publication, 0.85%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 0.85% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 0.85%
	5 10 15 20 25 30 35 40 45

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Dietrich C. et al. Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6 // Chemistry of Materials. 2016. Vol. 28. No. 23. pp. 8764-8773.

GOST all authors (up to 50) Copy

Dietrich C., Sadowski M., Sicolo S., Weber D. A., Sedlmaier S. J., Weldert K. S., Indris S., Albe K., Janek J., Zeier W. G. Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6 // Chemistry of Materials. 2016. Vol. 28. No. 23. pp. 8764-8773.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.chemmater.6b04175

UR - https://doi.org/10.1021/acs.chemmater.6b04175

TI - Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6

T2 - Chemistry of Materials

AU - Dietrich, Christian

AU - Sadowski, Marcel

AU - Weldert, Kai S

AU - Sicolo, Sabrina

AU - Weber, Dominik A.

AU - Sedlmaier, Stefan J.

AU - Indris, Sylvio

AU - Albe, Karsten

AU - Janek, Jürgen

AU - Zeier, Wolfgang G.

PY - 2016

DA - 2016/11/18 00:00:00

PB - American Chemical Society (ACS)

SP - 8764-8773

IS - 23

VL - 28

SN - 0897-4756

SN - 1520-5002

ER -

BibTex |

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BibTex Copy

@article{2016_Dietrich,

author = {Christian Dietrich and Marcel Sadowski and Kai S Weldert and Sabrina Sicolo and Dominik A. Weber and Stefan J. Sedlmaier and Sylvio Indris and Karsten Albe and Jürgen Janek and Wolfgang G. Zeier},

title = {Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6},

journal = {Chemistry of Materials},

year = {2016},

volume = {28},

publisher = {American Chemical Society (ACS)},

month = {nov},

url = {https://doi.org/10.1021/acs.chemmater.6b04175},

number = {23},

pages = {8764--8773},

doi = {10.1021/acs.chemmater.6b04175}

}

MLA

Cite this

MLA Copy

Dietrich, Christian, et al. “Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li4P2S6.” Chemistry of Materials, vol. 28, no. 23, Nov. 2016, pp. 8764-8773. https://doi.org/10.1021/acs.chemmater.6b04175.

Found error?

Publisher

American Chemical Society (ACS)

Journal

Chemistry of Materials

Quartile SCImago

Quartile WOS

Impact factor

8.6

ISSN

08974756 (Print)
15205002 (Electronic)