guest ::
| Home > Publications database > Solid Ion Conductors under Pressure: In Situ Monitoring of the Tetragonal to Cubic Phase Transition of $Na_3SbS_4$ and $Na_3PS_4$ |
| Home > Publications database > Solid Ion Conductors under Pressure: In Situ Monitoring of the Tetragonal to Cubic Phase Transition of $Na_3SbS_4$ and $Na_3PS_4$ |
| Journal Article | FZJ-2025-02909 |
; ; ; ; ; ; ;
2025
ACS Publications
Washington, DC
This record in other databases: 
Please use a persistent id in citations: doi:10.1021/acsmaterialslett.5c00593 doi:10.34734/FZJ-2025-02909
Abstract: The $Na_3PnS_4 (Pn = P, Sb)$ solid electrolytes are promising candidates for sodium solid-state batteries due to their potential high ionic conductivities. Structural modifications of these materials can induce a tetragonal-to-cubic phase transition, either by increasing temperature or by aliovalent substitutions. In this study, we introduce pressure as an alternative approach to observe the tetragonal-to-cubic phase transition in these materials. In situ synchrotron high-pressure powder X-ray diffraction shows a tetragonal-to-cubic phase transition at pressures of 2.9 GPa for $Na_3SbS_4$ and 14.6 GPa for $Na_3PS_4$. Rietveld refinements and symmetry analysis provide insights into the displacive phase transition mechanism related to the motion of $Na^+$ and the rotation of the $SbS_4^{3–}$ tetrahedra. Density functional theory calculations confirm that the cubic phase becomes thermodynamically favorable under high pressure compared to the tetragonal phase. These findings highlight the importance of high-pressure considerations in tailoring the properties of ionic conductors, an area that remains underexplored.
; 
; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 10 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
|
The record appears in these collections: |
PDF