Research Update: Ca doping effect on the Li-ion conductivity in NASICON-type solid electrolyte LiZr2(PO4)3: A first-principles molecular dynamics study

In this work, we used a density functional theory-based molecular dynamics simulation to investigate the Ca content-dependent Li-ion conductivity of NASICON-type Li1+2xCaxZr2-x(PO4)3 (LCZP) solid electrolytes (0.063 ≤ x ≤ 0.375) which exhibit a Li-excess chemical composition. The LCZP systems show a...

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Bibliographic Details
Main Authors: Yusuke Noda, Koki Nakano, Masanari Otake, Ryo Kobayashi, Masashi Kotobuki, Li Lu, Masanobu Nakayama
Format: Article
Language:English
Published: AIP Publishing LLC 2018-06-01
Series:APL Materials
Online Access:http://dx.doi.org/10.1063/1.5033460