Na2ZrCl6 enabling highly stable 3 V all-solid-state Na-ion batteries

Hiram Kwak, Jeyne Lyoo, Juhyoun Park, Yoonjae Han, Ryo Asakura, Arndt Remhof, Corsin Battaglia, Hansu Kim, Seung Tae Hong, Yoon Seok Jung

Research output: Contribution to journalArticlepeer-review

37 Citations (Scopus)


Halide solid electrolytes (SEs) are emerging as an alternative to sulfide and/or oxide SEs for applications in all-solid-state batteries owing to the advantage fulfilling high (electro)chemical stability and mechanical sinterability at the same time. Thus far, the developments in halide SEs have focused on Li+ superionic conductors. Herein, the development of a new Na+-conducting halide SE, mechanochemically prepared Na2ZrCl6 (1.8 × 10−5 S cm−1 at 30°C) with excellent oxidative electrochemical stability, is described. A trigonal crystal structure with the P3¯m1 symmetry is successfully identified by the Rietveld refinement of X-ray diffraction. Additionally, the bond valence sum energy level calculations disclose one-dimensional preferable Na+-diffusion channels in Na2ZrCl6. It is to be noted that despite the rather low Na+ conductivity of Na2ZrCl6, NaCrO2 electrodes that uses Na2ZrCl6 in NaCrO2/Na-Sn all-solid-state Na-ion batteries demonstrate an exceptionally high initial Coulombic efficiency of 93.1% and a high reversible capacity of 111 mA h g−1 at 0.1C and 30 °C (98.4% and 123 mA h g−1 at 60 °C), highlighting the excellent electrochemical stability of Na2ZrCl6.

Original languageEnglish
Pages (from-to)47-54
Number of pages8
JournalEnergy Storage Materials
Publication statusPublished - 2021 May

Bibliographical note

Publisher Copyright:
© 2021 Elsevier B.V.

All Science Journal Classification (ASJC) codes

  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)
  • Energy Engineering and Power Technology


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