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

From National Research Council Canada

DOIResolve DOI: http://doi.org/10.1016/j.commatsci.2015.05.022
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Name affiliation
  1. National Research Council Canada. Energy, Mining and Environment
TypeArticle
Journal titleComputational Materials Science
ISSN0927-0256
Volume107
Pages134138; # of pages: 5
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
Abstract
Publication date
PublisherElsevier
LanguageEnglish
Peer reviewedYes
NPARC number21275644
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Record identifier14409334-2553-4c06-8092-ce8bb5209791
Record created2015-07-14
Record modified2017-02-13
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