Insight into the structural and electrochemical properties of the interface between a Na₆SOI₂ solid electrolyte and a metallic Na anode

Abstract

Solid electrolytes (SE) have attracted a great deal of interest as they can not only mitigate the safety issues related to currently used liquid organic electrolytes but also enable the...

Recent progress and strategic perspectives of inorganic solid electrolytes: fundamentals, modifications, and applications in sodium metal batteries

“…, ESW of 0–1.66 V for Na 4 OI 2 and 0–1.5 V vs. Na + /Na for Na 6 SOI 2 . 686,733 This is ascribed to both the electronically insulating nature of the pristine antiperovskite structure and unreducible elements contained. 689 For some of the modified antiperovskite SEs, the coating layer may be necessary for a thermodynamically unstable interface with the Na metal anode; e.g.…”

Computational Design of Antiperovskite Solid Electrolytes

“…Black (blue) curve in the top-left (top-right) panel represents the migration of a Na interstitial from an inner bulk site toward the Na–I (Na–S–O) surface and Na–I/Na (001) (Na–S–O/Na (001)) interface. Reproduced with permission from ref ( 89 ). Copyright 2023 Royal Society of Chemistry.…”

“…More recently, a first-principles study performed by Choe et al 89 focused on the interface between a metallic Na anode and the Na-based antiperovskite Na 6 SOI 2 . Their calculations showed that the Na 6 SOI 2 (001) surface with two different terminations (i.e., Na–S–O and Na–I) could be used along with the Na (001) and (101) surfaces to form four different interface models due to their calculated exothermic interlayer binding energies, which ranged from −18.3 to −15.8 meV Å –2 , and formation energies of −28.0 to −21.5 meV Å –2 .…”