Yttrium–Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na-Ion Batteries

Published in The Journal of Physical Chemistry Letters, 2020

This paper presents Yttrium–Sodium Halide-based materials (Na3YX6, X = Cl or Br) as promising solid-state electrolytes for large-scale energy storage applications with sodium-ion batteries. Their high ionic conductivity and stability are demonstrated by first-principles calculations based on methods such as density functional theory (DFT) and the Vienna ab initio Simulation Package (VASP).

Recommended citation: Qie, Y.; Wang, S.; Fu, S.; Xie, H.; Sun, Q.; Jena, P. Yttrium–Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na-Ion Batteries. J. Phys. Chem. Lett. 2020, 11 (9), 3376–3383. 🔗
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