skip to main content

Title: Structural Evolution and Li Dynamics in Nanophase Li3PS4 by Solid-State and Pulsed Field Gradient NMR

The ceramic lithium ion conductor -Li3PS4 has a disordered and nanoporous structure that leads to an enhancement in ionic conductivity by some three orders of magnitude compared to the crystalline phase. The phase is prepared by thermal treatment of an inorganic-organic complex based on Li3PS4 and THF. Multinuclear (1H, 6,7Li, 31P) solid state NMR spectroscopy is used to characterize the structural phase evolution of the starting material at various steps in the thermal treatment. The phase formed after high temperature treatment is recognized as spectroscopically distinct from the bulk -Li3PS4 compound. Also formed is an amorphous lithium thiophosphate phase that is metastable as verified by annealing over an extended period. Lithium ion self-diffusion coefficients are measurable by standard pulsed gradient NMR methods at 100oC and with values consistent with the high ionic conductivity previously reported for this material.
 [1] ;  [1] ;  [2] ;  [2]
  1. Hunter College of the City University of New York
  2. ORNL
Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry of Materials; Journal Volume: 26; Journal Issue: 11
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
solid electrolyte; lithium batteries; energy storage