Journal
SOLID STATE IONICS
Volume 284, Issue -, Pages 61-70Publisher
ELSEVIER
DOI: 10.1016/j.ssi.2015.10.015
Keywords
Solid electrolyte; Lithium thiophosphate; Crystal structure; Li ion conductivity; All-solid-state battery
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Funding
- NSF [DMR-1105485]
- Higher Education Research Experiences (HERE) at Oak Ridge National Laboratory
- Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy
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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 degrees C in vacuum and up to 280 degrees C in air. While its ionic conductivity is small, 2.38 x 10(-7) S/cm at 25 degrees C and 2.33 x 10(-6)S/cm at 100 degrees 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. (C) 2015 Elsevier B.V. All rights reserved.
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