Journal Article

FZJ-2022-02976

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes

Deng, Z. (Corresponding author) ; Mishra, T. P. ; Mahayoni, E. ; Ma, Q.FZJ* ; Tieu, A. J. K. ; Guillon, O.FZJ* ; Chotard, J.-N. ; Seznec, V. ; Cheetham, A. K. ; Masquelier, C. ; Gautam, G. S. ; Canepa, P. (Corresponding author)

2022
Nature Publishing Group UK [London]

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Please use a persistent id in citations: http://hdl.handle.net/2128/32073  doi:10.1038/s41467-022-32190-7

Abstract: Lithium and sodium (Na) mixed polyanion solid electrolytes for all-solid-statebatteries display some of the highest ionic conductivities reported to date.However, the effect of polyanion mixing on the ion-transport properties is stillnot fully understood. Here,we focus onNa1+xZr2SixP3−xO12 (0 ≤ x ≤ 3) NASICONelectrolyte to elucidate the role of polyanion mixing on the Na-ion transportproperties. Although NASICON is a widely investigated system, transportproperties derived from experiments or theory vary by orders of magnitude.We use more than 2000 distinct ab initio-based kinetic Monte Carlo simulationsto map the compositional space of NASICON over various time ranges,spatial resolutions and temperatures. Via electrochemical impedance spectroscopymeasurements on samples with different sodium content, we findthat the highest ionic conductivity (i.e., about 0.165 S cm–1 at 473 K) isexperimentally achieved in Na3.4Zr2Si2.4P0.6O12, in line with simulations (i.e.,about 0.170 S cm–1 at 473 K). The theoretical studies indicate that dopedNASICON compounds (especially those with a silicon content x ≥ 2.4) canimprove the Na-ion mobility compared to undoped NASICON compositions.

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Contributing Institute(s):

1. Werkstoffsynthese und Herstellungsverfahren (IEK-1)
2. JARA-ENERGY (JARA-ENERGY)

Research Program(s):

1. 1221 - Fundamentals and Materials (POF4-122) (POF4-122)

Appears in the scientific report 2022

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