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A New Superionic Plastic Polymorph of the Na+ Conductor Na3PS4

Famprikis, Theodosios and Dawson, James A. and Fauth, François and Clemens, Oliver and Suard, Emmanuelle and Fleutot, Benoit and Courty, Matthieu and Chotard, Jean-Noël and Islam, M. Saiful and Masquelier, Christian (2019):
A New Superionic Plastic Polymorph of the Na+ Conductor Na3PS4.
In: ACS Materials Letters, 1 (6), pp. 641-646. American Chemical Society, ISSN 2639-4979,
DOI: 10.1021/acsmaterialslett.9b00322,
[Article]

Abstract

Na3PS4 is one of the most promising Na+ conductors, relevant for applications that can leverage its high ionic conductivity, such as solid-state batteries. Currently, two crystalline phases of the material have been identified, and it has been thought to melt above 500 °C. In contrast, based on diffraction, ab initio simulations, impedance spectroscopy, and thermal analysis, we show that Na3PS4 remains solid above this temperature and transforms to a third polymorph, γ, exhibiting fast-ion conduction and an orthorhombic crystal structure. We show that the fast Na+-conduction is associated with rotational motion of the thiophosphate polyanions pointing to a plastic crystal. These findings are of major importance for the development and understanding of new polyanion-based solid electrolytes.

Item Type: Article
Erschienen: 2019
Creators: Famprikis, Theodosios and Dawson, James A. and Fauth, François and Clemens, Oliver and Suard, Emmanuelle and Fleutot, Benoit and Courty, Matthieu and Chotard, Jean-Noël and Islam, M. Saiful and Masquelier, Christian
Title: A New Superionic Plastic Polymorph of the Na+ Conductor Na3PS4
Language: English
Abstract:

Na3PS4 is one of the most promising Na+ conductors, relevant for applications that can leverage its high ionic conductivity, such as solid-state batteries. Currently, two crystalline phases of the material have been identified, and it has been thought to melt above 500 °C. In contrast, based on diffraction, ab initio simulations, impedance spectroscopy, and thermal analysis, we show that Na3PS4 remains solid above this temperature and transforms to a third polymorph, γ, exhibiting fast-ion conduction and an orthorhombic crystal structure. We show that the fast Na+-conduction is associated with rotational motion of the thiophosphate polyanions pointing to a plastic crystal. These findings are of major importance for the development and understanding of new polyanion-based solid electrolytes.

Journal or Publication Title: ACS Materials Letters
Journal volume: 1
Number: 6
Publisher: American Chemical Society
Uncontrolled Keywords: Plastics Thermodynamic modeling, Physical and chemical processes, Ionic conductivity, Phase transitions
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Fachgebiet Materialdesign durch Synthese
Date Deposited: 19 Feb 2020 07:31
DOI: 10.1021/acsmaterialslett.9b00322
Official URL: https://doi.org/10.1021/acsmaterialslett.9b00322
Projects: T.F. acknowledges the Alistore ERI and CNRS for their financial support in the form of a joint Ph.D. project between Amiens (France) and Bath (UK)., M.S.I. and J.A.D. acknowledge the EPSRC Programme Grant (No. EP/M009521/1) and the MCC-Archer consortium (No. EP/L000202/1).
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