Visualization of conduction pathways in a lanthanum lithium titanate superionic conductor synthesized by rapid cooling

Three-dimensional structure and conduction pathways of the lithium ions in super(7)Li sub(0.4)La sub(0.53)TiO sub(3) quenched with liquid nitrogen were studied using reverse Monte Carlo modeling and the bond valence sum approach using neutron diffraction data. The lithium ions were primarily located...

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Bibliographic Details
Published in:	Solid state ionics Vol. 268; pp. 76 - 81
Main Authors:	Mori, Kazuhiro, Tomihira, Shogo, Iwase, Kenji, Fukunaga, Toshiharu
Format:	Journal Article
Language:	English
Published:	15-12-2014
Subjects:	Conduction cooling Lithium Lithium ions Mathematical models Monte Carlo methods Neutron diffraction Pathways Three dimensional Titanates
Online Access:	Get full text
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Summary:	Three-dimensional structure and conduction pathways of the lithium ions in super(7)Li sub(0.4)La sub(0.53)TiO sub(3) quenched with liquid nitrogen were studied using reverse Monte Carlo modeling and the bond valence sum approach using neutron diffraction data. The lithium ions were primarily located in the region between the off-center positions of the A-sites and bottlenecks defined by four coordinating oxygen ions. The bottlenecks in the predicted conduction pathways of the lithium ions were classified into three types (I, II, and III) by their size. The type II bottlenecks were the most accessible to lithium-ion migration and more than 70% of the bottlenecks were type II.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0167-2738
DOI:	10.1016/j.ssi.2014.09.030