Design and synthesis of the superionic conductor Na10SnP2S12

William D. Richards, Tomoyuki Tsujimura, Lincoln J. Miara, Yan Wang, Jae Chul Kim, Shyue Ping Ong, Ichiro Uechi, Naoki Suzuki and Gerbrand Ceder ()
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William D. Richards: Massachusetts Institute of Technology
Tomoyuki Tsujimura: Samsung R&D Institute Japan
Lincoln J. Miara: Samsung Advanced Institute of Technology—USA
Yan Wang: Massachusetts Institute of Technology
Jae Chul Kim: Massachusetts Institute of Technology
Shyue Ping Ong: University of California San Diego
Ichiro Uechi: Samsung R&D Institute Japan
Naoki Suzuki: Samsung R&D Institute Japan
Gerbrand Ceder: Massachusetts Institute of Technology

Nature Communications, 2016, vol. 7, issue 1, 1-8

Abstract: Abstract Sodium-ion batteries are emerging as candidates for large-scale energy storage due to their low cost and the wide variety of cathode materials available. As battery size and adoption in critical applications increases, safety concerns are resurfacing due to the inherent flammability of organic electrolytes currently in use in both lithium and sodium battery chemistries. Development of solid-state batteries with ionic electrolytes eliminates this concern, while also allowing novel device architectures and potentially improving cycle life. Here we report the computation-assisted discovery and synthesis of a high-performance solid-state electrolyte material: Na10SnP2S12, with room temperature ionic conductivity of 0.4 mS cm−1 rivalling the conductivity of the best sodium sulfide solid electrolytes to date. We also computationally investigate the variants of this compound where tin is substituted by germanium or silicon and find that the latter may achieve even higher conductivity.

Date: 2016
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DOI: 10.1038/ncomms11009

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