Rational design of layered oxide materials for sodium-ion batteries
C. Zhao (Chinese Academy of Sciences)
Q. Wang (Tsinghua University)
Zhenpeng Yao (Harvard University)
Jianlin Wang (Chinese Academy of Sciences)
Benjamín Sánchez-Lengeling (Harvard University)
Feixiang Ding (Chinese Academy of Sciences)
Xingguo Qi (Chinese Academy of Sciences)
Yaxiang Lu (Chinese Academy of Sciences)
M. Wagemaker (TU Delft - RST/Storage of Electrochemical Energy)
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Abstract
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.