First-principles molecular simulations of Li diffusion in solid electrolytes Li3PS4

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  1. National Research Council of Canada. Energy, Mining and Environment
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SubjectCalculations; Crystalline materials; Diffusion; Electrolytes; Ionic conductivity; Lithium; Molecular dynamics; Potentiometric sensors; Crystalline phasis; First principles; First principles molecular dynamics; Large surface area; Molecular simulations; Site-to-site hopping; Solid-state electrolyte; Three orders of magnitude; Solid electrolytes
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NPARC number21275644
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Record identifier14409334-2553-4c06-8092-ce8bb5209791
Record created2015-07-14
Record modified2020-04-22
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