Correlation of anisotropy and directional conduction in β-Li3PS4 fast Li+ conductor

Chen, Yan; Cai, Lu; Liu, Zengcai; dela Cruz, Clarina R.; Liang, Chengdu; An, Ke

doi:10.1063/1.4926725

Title: Correlation of anisotropy and directional conduction in β-Li₃PS₄ fast Li⁺ conductor

Journal Article · Mon Jul 06 00:00:00 EDT 2015 · Applied Physics Letters

DOI: https://doi.org/10.1063/1.4926725 · OSTI ID:1193190

^[1]; Cai, Lu ^[1]; Liu, Zengcai ^[1]; dela Cruz, Clarina R. ^[1]; Liang, Chengdu ^[1];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Our letter reports the correlation of anisotropy and directional conduction in the fast Li⁺ conductor β-Li₃PS₄, one of the low-symmetry crystalline electrolyte candidates. The material has both high conductivity and good stability that serves well for the large-scale energy storage applications of all-solid-state lithium ion batteries. The anisotropic physical properties, demonstrated here by the thermal expansion coefficients, are crucial for compatibility in the solid-state system and battery performance. Neutron and X-ray powder diffraction measurements were done to determine the crystal structure and thermal stability. Moreover, the crystallographic b-axis was revealed as a fast expansion direction, while negligible thermal expansion was observed along the a-axis around the battery operating temperatures. The anisotropic behavior has its structural origin from the Li⁺ conduction channels with incomplete Li occupancy and a flexible connection of LiS₄ and PS₄ tetrahedra within the framework. This indicates a strong correlation in the direction of the ionic transport in the low-symmetry Li⁺ conductor.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); High Flux Isotope Reactor (HFIR); Spallation Neutron Source

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1193190

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 1 Vol. 107; ISSN 0003-6951; ISSN APPLAB

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Analysis of Diffusion in Solid-State Electrolytes through MD Simulations, Improvement of the Li-Ion Conductivity in β-Li ₃ PS ₄ as an Example de Klerk, Niek J. J.; van der Maas, Eveline; Wagemaker, Marnix ACS Applied Energy Materials, Vol. 1, Issue 7 https://doi.org/10.1021/acsaem.8b00457	journal	June 2018
An Air-Stable Na ₃ SbS ₄ Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure Wang, Hui; Chen, Yan; Hood, Zachary D. Angewandte Chemie, Vol. 128, Issue 30 https://doi.org/10.1002/ange.201601546	journal	June 2016
An Air-Stable Na ₃ SbS ₄ Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure Wang, Hui; Chen, Yan; Hood, Zachary D. Angewandte Chemie International Edition, Vol. 55, Issue 30 https://doi.org/10.1002/anie.201601546	journal	June 2016
Oxygen-driven transition from two-dimensional to three-dimensional transport behaviour in β-Li ₃ PS ₄ electrolyte Wang, Xuelong; Xiao, Ruijuan; Li, Hong Physical Chemistry Chemical Physics, Vol. 18, Issue 31 https://doi.org/10.1039/c6cp03179j	journal	January 2016

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