» Articles » PMID: 37993459

Design Principles for Sodium Superionic Conductors

Overview
Journal Nat Commun
Specialty Biology
Date 2023 Nov 22
PMID 37993459
Authors
Affiliations
Soon will be listed here.
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 NaMCl (M = La-Sm) with UCl-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.

Citing Articles

Research Progress on Solid-State Electrolytes in Solid-State Lithium Batteries: Classification, Ionic Conductive Mechanism, Interfacial Challenges.

Ai S, Wu X, Wang J, Li X, Hao X, Meng Y Nanomaterials (Basel). 2024; 14(22).

PMID: 39591015 PMC: 11597872. DOI: 10.3390/nano14221773.


Integrating chemistry knowledge in large language models via prompt engineering.

Liu H, Yin H, Luo Z, Wang X Synth Syst Biotechnol. 2024; 10(1):23-38.

PMID: 39206087 PMC: 11350497. DOI: 10.1016/j.synbio.2024.07.004.


Prediction of Novel Trigonal Chloride Superionic Conductors as Promising Solid Electrolytes for All-Solid-State Lithium Batteries.

Wang Y, Ren Z, Zhang J, Lu S, Hua C, Yuan H Adv Sci (Weinh). 2024; 11(34):e2404213.

PMID: 38981036 PMC: 11425969. DOI: 10.1002/advs.202404213.

References
1.
He X, Zhu Y, Mo Y . Origin of fast ion diffusion in super-ionic conductors. Nat Commun. 2017; 8:15893. PMC: 5482052. DOI: 10.1038/ncomms15893. View

2.
Wang Y, Richards W, Ong S, Miara L, Kim J, Mo Y . Design principles for solid-state lithium superionic conductors. Nat Mater. 2015; 14(10):1026-31. DOI: 10.1038/nmat4369. View

3.
Murugan R, Thangadurai V, Weppner W . Fast lithium ion conduction in garnet-type Li(7)La(3)Zr(2)O(12). Angew Chem Int Ed Engl. 2007; 46(41):7778-81. DOI: 10.1002/anie.200701144. View

4.
Kresse , Furthmuller . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B Condens Matter. 1996; 54(16):11169-11186. DOI: 10.1103/physrevb.54.11169. View

5.
Zhang Y, He X, Chen Z, Bai Q, Nolan A, Roberts C . Unsupervised discovery of solid-state lithium ion conductors. Nat Commun. 2019; 10(1):5260. PMC: 6868160. DOI: 10.1038/s41467-019-13214-1. View