Insight into the local structural evolution and structural dynamics in Na-Y-Zr-Cl solid electrolytes for solid state battery applications

Ionic diffusion in a solid is affected by both local and long-range crystal order. Understanding the relationship between ionic diffusion and crystal structure in different length scales will help to design new and better high-performance solid electrolytes for solid-state battery. We want to perform a detailed local structure analysis of newly discovered Na3-xY1-xZrxCl6 (NYZCx) based Na ionic conductor. Various parameters of NYZCx at local length scale, including transition metal ordering, mixing, and intrinsic vacancy effect on Na ion dynamics. For example, NYZCx synthesized at different processes shows a drastic change in conductivities like other Na-based superionic conductors such as Na3PS4, and NaZrCl6. We believe that a detailed understanding of the local structure of this NYZCx synthesized at different routes explains more insights about Na ion dynamics and help to create the design principle of high superionic conductor for solid-state battery applications.