Key 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.
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.
Science. 2020 Nov 6;370(6517):708-711. doi: 10.1126/science.aay9972.
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.
钠离子电池由于钠的丰富性而在电网规模储能方面引起了广泛关注。由于可用的电极材料，特别是对于钠离子层状氧化物，这种电池的性能受到限制，这促使人们探索高组成多样性。组成如何决定结构化学对于电化学性能是决定性的，但很难预测，特别是对于复杂的组成。我们引入了“阳离子势”，它捕捉了层状材料的关键相互作用，使得预测堆叠结构成为可能。这通过合理设计和制备具有改进性能的层状电极材料得到了证明。由于堆叠结构决定了功能特性，因此这种方法为设计碱金属层状氧化物提供了一种解决方案。
