Structural and electrolyte properties of Li4P2S6

Zachary D. Hood; Cameron Kates; Melanie Kirkham; Shiba Adhikari; Chengdu Liang; N. A.W. Holzwarth

doi:10.1016/j.ssi.2015.10.015

Structural and electrolyte properties of Li₄P₂S₆

Zachary D. Hood, Cameron Kates, Melanie Kirkham, Shiba Adhikari, Chengdu Liang, N. A.W. Holzwarth

Research output: Contribution to journal › Article › peer-review

68 Scopus citations

Abstract

Experiment and simulations are used to investigate the structural and electrolyte properties of Li₄P₂S₆. Compared with other thiophosphate materials, Li₄P₂S₆ is quite stable, maintaining its crystal structure up to temperatures as high as 950 °C in vacuum and up to 280 °C in air. While its ionic conductivity is small, 2.38 × 10^{- 7} S/cm at 25 °C and 2.33 × 10^{- 6} S/cm at 100 °C, its Arrhenius activation energy of 0.29 eV is similar to technologically viable electrolytes. Computer simulations provide insight into the causes and effects of disorder in this material and also indicate that the mechanism of the ion conduction is dominated by interstitial sites.

Original language	English
Pages (from-to)	61-70
Number of pages	10
Journal	Solid State Ionics
Volume	284
DOIs	https://doi.org/10.1016/j.ssi.2015.10.015
State	Published - Jan 1 2016
Externally published	Yes

Keywords

All-solid-state battery
Crystal structure
Li ion conductivity
Lithium thiophosphate
Solid electrolyte

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.ssi.2015.10.015

Cite this

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title = "Structural and electrolyte properties of Li4P2S6",

abstract = "Experiment and simulations are used to investigate the structural and electrolyte properties of Li4P2S6. Compared with other thiophosphate materials, Li4P2S6 is quite stable, maintaining its crystal structure up to temperatures as high as 950 °C in vacuum and up to 280 °C in air. While its ionic conductivity is small, 2.38 × 10- 7 S/cm at 25 °C and 2.33 × 10- 6 S/cm at 100 °C, its Arrhenius activation energy of 0.29 eV is similar to technologically viable electrolytes. Computer simulations provide insight into the causes and effects of disorder in this material and also indicate that the mechanism of the ion conduction is dominated by interstitial sites.",

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T1 - Structural and electrolyte properties of Li4P2S6

AU - Hood, Zachary D.

AU - Kates, Cameron

AU - Kirkham, Melanie

AU - Adhikari, Shiba

AU - Liang, Chengdu

AU - Holzwarth, N. A.W.

PY - 2016/1/1

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AB - Experiment and simulations are used to investigate the structural and electrolyte properties of Li4P2S6. Compared with other thiophosphate materials, Li4P2S6 is quite stable, maintaining its crystal structure up to temperatures as high as 950 °C in vacuum and up to 280 °C in air. While its ionic conductivity is small, 2.38 × 10- 7 S/cm at 25 °C and 2.33 × 10- 6 S/cm at 100 °C, its Arrhenius activation energy of 0.29 eV is similar to technologically viable electrolytes. Computer simulations provide insight into the causes and effects of disorder in this material and also indicate that the mechanism of the ion conduction is dominated by interstitial sites.

KW - All-solid-state battery

KW - Crystal structure

KW - Li ion conductivity

KW - Lithium thiophosphate

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