Structure and Ionic Conductivity of Li2S-P2S5 Glass Electrolytes Simulated with First-Principles Molecular Dynamics

Lithium thiophosphate-based materials are attractive as solid electrolytes in all-solid-state lithium batteries because glass or glass-ceramic structures of these materials are associated with very high conductivity. In this work, we modeled lithium thiophosphates with amorphous structures and inves...

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Bibliographic Details
Main Authors: Takeshi eBaba, Yoshiumi eKawamura
Format: Article
Language:English
Published: Frontiers Media S.A. 2016-06-01
Series:Frontiers in Energy Research
Subjects:
Online Access:http://journal.frontiersin.org/Journal/10.3389/fenrg.2016.00022/full