Insights into the Rich Polymorphism of the Na⁺ Ion Conductor Na₃PS₄ from the Perspective of Variable-Temperature Diffraction and Spectroscopy.

ABSTRACT: Solid electrolytes are crucial for next-generation solid-state batteries, and Na₃PS₄ is one of the most promising Na⁺ conductors for such applications, despite outstanding questions regarding its structural polymorphs. In this contribution, we present a detailed investigation of the evolution in structure and dynamics of Na₃PS₄ over a wide temperature range 30 < T < 600 °C through combined experimental-computational analysis. Although Bragg diffraction experiments indicate a second-order phase transition from the tetragonal ground state (α, P4̅2₁ c) to the cubic polymorph (β, I4̅3m) above ∼250 °C, pair distribution function analysis in real space and Raman spectroscopy indicate remnants of

SUBMITTER: Famprikis T 

PROVIDER: S-EPMC8411865 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature