Design principles for sodium superionic conductors

Shuo Wang, Jiamin Fu, Yunsheng Liu, Ramanuja Srinivasan Saravanan, Jing Luo, Sixu Deng, Tsun-Kong Sham, Xueliang Sun () and Yifei Mo ()
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Shuo Wang: University of Maryland
Jiamin Fu: University of Western Ontario
Yunsheng Liu: University of Maryland
Ramanuja Srinivasan Saravanan: University of Maryland
Jing Luo: University of Western Ontario
Sixu Deng: University of Western Ontario
Tsun-Kong Sham: University of Western Ontario
Xueliang Sun: University of Western Ontario
Yifei Mo: University of Maryland

Nature Communications, 2023, vol. 14, issue 1, 1-9

Abstract: Abstract Motivated by the high-performance solid-state lithium batteries enabled by lithium superionic conductors, sodium superionic conductor materials have great potential to empower sodium batteries with high energy, low cost, and sustainability. A critical challenge lies in designing and discovering sodium superionic conductors with high ionic conductivities to enable the development of solid-state sodium batteries. Here, by studying the structures and diffusion mechanisms of Li-ion versus Na-ion conducting solids, we reveal the structural feature of face-sharing high-coordination sites for fast sodium-ion conductors. By applying this feature as a design principle, we discover a number of Na-ion conductors in oxides, sulfides, and halides. Notably, we discover a chloride-based family of Na-ion conductors NaxMyCl6 (M = La–Sm) with UCl3-type structure and experimentally validate with the highest reported ionic conductivity. Our findings not only pave the way for the future development of sodium-ion conductors for sodium batteries, but also consolidate design principles of fast ion-conducting materials for a variety of energy applications.

Date: 2023
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DOI: 10.1038/s41467-023-43436-3

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