Solid State Ionics, Vol.268, 76-81, 2014
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 (Li0.4La0.53TiO3)-Li-7 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. (C) 2014 Elsevier B.V. All rights reserved.
Keywords:Lithium-ion conductor;Lanthanum lithium titanate;Local structure;Neutron diffraction;Reverse Monte Carlo modeling;Bond valence sum