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Rational design of layered oxide materials for sodium-ion batteries

Chenglong ZhaoCenter of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, ChinaQidi WangSchool of Materials Science and Engineering, Tsinghua University, Beijing 100084, ChinaZhenpeng YaoDepartment of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USAJianlin WangState Key Laboratory for Surface Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, ChinaBenjamín Sánchez-LengelingDepartment of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USAFeixiang DingUniversity of Chinese Academy of SciencesXingguo QiCenter of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, ChinaYaxiang LuCenter of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, ChinaXuedong BaiState Key Laboratory for Surface Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, ChinaBaohua LiShenzhen Key Laboratory on Power Battery Safety and Shenzhen Geim Graphene Center, School of Shenzhen International Graduate, Tsinghua University, Guangdong 518055, ChinaHong LiKey Laboratory for Renewable Energy, Beijing Key Laboratory for New Energy Materials and Devices, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, ChinaAlán Aspuru‐GuzikDepartment of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, USAXuejie HuangCenter of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, ChinaClaude DelmasInstitut de Chimie de la Matière Condensée de BordeauxMarnix WagemakerDepartment of Radiation Science and Technology, Delft University of Technology, Mekelweg 15, 2629JB Delft, NetherlandsLiquan ChenInstitute of PhysicsYong‐Sheng HuKey Laboratory for Renewable Energy, Beijing Key Laboratory for New Energy Materials and Devices, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
2020en
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Annotatsiya

Sodium-ion batteries have captured widespread attention for grid-scale energy storage owing to the natural abundance of sodium. The performance of such batteries is limited by available electrode materials, especially for sodium-ion layered oxides, motivating the exploration of high compositional diversity. How the composition determines the structural chemistry is decisive for the electrochemical performance but very challenging to predict, especially for complex compositions. We introduce the "cationic potential" that captures the key interactions of layered materials and makes it possible to predict the stacking structures. This is demonstrated through the rational design and preparation of layered electrode materials with improved performance. As the stacking structure determines the functional properties, this methodology offers a solution toward the design of alkali metal layered oxides.

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DOI
10.1126/science.aay9972

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