Impact of the Li substructure on the diffusion pathways in alpha and beta Li3PS4: an in situ high temperature neutron diffraction study
Author:
Affiliation:
1. Department of Chemistry
2. Department of Chemical Engineering
3. The Waterloo Institute for Nanotechnology
4. University of Waterloo
5. Waterloo
6. Neutron Scattering Division
7. Oak Ridge National Laboratory
8. Oak Ridge
9. USA
Abstract
An in situ variable-temperature neutron diffraction study of Li3PS4 reveals the structure and Li-ion diffusion pathways (via MEM and BVEL calculations) of the high temperature fast-ion conductor, α-Li3PS4, (Ea = 0.22 eV), and compares them to those of other polymorphs and the Si-substituted phase.
Funder
Natural Sciences and Engineering Research Council of Canada
BASF
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/TA/D0TA02805C
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5. Elastic Properties, Defect Thermodynamics, Electrochemical Window, Phase Stability, and Li+ Mobility of Li3PS4: Insights from First-Principles Calculations
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