Electrical properties and oxide ion conducting mechanism in Na-doped LaPO4.

In this paper, series of Na-doped La 1- x Na x PO 4- x (0 ≤ x ≤ 0.2) materials are synthesized by solid state reaction method, and single phase has been obtained for 0 ≤ x ≤ 0.1. The doped materials show significantly improved conductivity under dry environment by about four orders of magnitude, but dominated by sodium ion conduction, with ~ 10% oxide ion conduction. The oxide ion conducting mechanism in LaPO 4 -based materials is studied for the first time by molecular dynamic simulations based on interatomic potential approach. This work therefore provides a comprehensive view of the underlying oxide ion migration mechanism for LaPO 4 -based materials. Image, graphical abstract [ABSTRACT FROM AUTHOR]