Layering the charge Layered metal oxides such as lithium cobalt oxide have attracted great attention for rechargeable batteries. In lithium cells, only the octahedral structure forms, but in sodium cells, trigonal prismatic structures are also possible. However, there is a lack of understanding about how to predict and control the formation of each structure. Zhao et al. used the simple properties of ions, namely their charge and their radius appropriately weighted by stoichiometry, to determine whether sodium in the interlayers between the transition metal or other ion-oxide layers remain octahedral rather than switching over to trigonal prismatic coordination. Science, this issue p. 708 The energy storage properties of layered oxides are characterized and optimized for cathodes in sodium ion batteries. 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.

中文翻译：

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钠离子电池层状氧化物材料的合理设计

分层电荷 分层金属氧化物如锂钴氧化物已引起可充电电池的极大关注。在锂电池中，仅形成八面体结构，但在钠电池中，也可能形成三棱柱结构。然而，人们对如何预测和控制每个结构的形成缺乏了解。赵等人。使用离子的简单特性，即它们的电荷和它们的半径按化学计量适当加权，以确定过渡金属或其他离子氧化物层之间的夹层中的钠是否保持八面体，而不是切换到三棱柱配位。科学，这个问题 p。708 层状氧化物的储能特性已针对钠离子电池中的阴极进行表征和优化。由于钠的天然丰富，钠离子电池在电网规模的储能方面受到了广泛关注。这种电池的性能受到可用电极材料的限制，尤其是钠离子层状氧化物，这推动了对高成分多样性的探索。组成如何决定结构化学对电化学性能至关重要，但预测非常具有挑战性，尤其是对于复杂的组成。我们引入了“阳离子电位”，它可以捕捉层状材料的关键相互作用，并使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来证明。由于堆叠结构决定了功能特性，