Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: K1.00085 : Li ion migration of lithium thiophosphate solid electrolyte materials
Author:
Li$_{2}$S-P$_{2}$S$_{5}$-based glasses are of great interest to
be used as
electrolytes in solid-state batteries. However, a detailed
understanding on
their structures and diffusion mechanisms is still missing. In
this work, we
investigate the atomic structures and ion diffusion mechanisms of
various
thiophosphate composites. These materials show intriguing structural
similarities to their analogous Li phosphates. As a high ion
conductivity
battery material, interstitial and vacancy Li point defects
should be
reasonably stable within the host system. Besides, system with
charged
defect must be insulating to prevent electronic conduct which may
low the ion
conductivity. Our results show that interstitial Li has lower
formation
energy than Li vacancy, thus indicating that the ion conductivity
may arise
from the migration of interstitial Li. We propose possible
solutions to
optimize it. This study will help us to gain fundamental
understanding on
the Li ion diffusion process.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.K1.85
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