Journal
JOURNAL OF MATERIALS CHEMISTRY A
Volume 8, Issue 40, Pages 21265-21272Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0ta07110b
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Funding
- National Natural Science Foundation of China [51825201]
- Key Program of the National Natural Science Foundation of China [51732005]
- Natural Science Foundation of China [51902150]
- Guangdong Provincial Key Laboratory of Energy Materials for Electric Power [2018B030322001]
- Shenzhen Key Laboratory of Solid State Batteries [ZDSYS20180208184346531]
- Science Challenge Project [TZ2016004, TZ2018002]
- National Key Research and Development Program of China [2017YFA0206701]
- National Program for Support of Top-Notch Young Professionals
- Changjiang Scholar Program
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Sodium-rich antiperovskite (NaRAP) ionic conductors have been considered promising inorganic electrolytes for all-solid-state sodium batteries due to their low fabrication cost, high sodium ionic conductivity and good structural tolerance. The high structural flexibility of NaRAPs allows variety of chemical substitutions to improve conductivity; in particular, the substitution of the anion cluster has effectively proved promoting Na+ migration, both experimentally and theoretically. Herein, we report an unexpected boost in Na+ ionic conductivity that climbs to 0.37 mS cm(-1) at 485 K by introducing NO2- groups in the antiperovskite Na3ONO2 system. Its mechanism was fully investigated by neutron powder diffraction and DFT calculations, proving that the NO2- group on the lattice center, can utilize its terminal O2- anion to facilitate the Na+ migration via the Na-O interaction, when thermally excited at 485 K. The detailed migration path is also discussed by both maximum entropy method (MEM) and DFT calculations.
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