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Computational Studies of Electrode Materials in Sodium-Ion Batteries

机译：钠离子电池中电极材料的计算研究

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Sodium-ion batteries have attracted extensive interest as a promising solution for large-scale electrochemical energy storage, owing to their low cost, materials abundance, good reversibility, and decent energy density. For sodium-ion batteries to achieve comparable performance to current lithium-ion batteries, significant improvements are still required in cathode, anode, and electrolyte materials. Understanding the functioning and degradation mechanisms of the materials is essential. Computational techniques have been widely applied in tandem with experimental investigations to provide crucial fundamental insights into electrode materials and to facilitate the development of materials for sodium-ion batteries. Herein, the authors review computational studies on electrode materials in sodium-ion batteries. The authors summarize the current state-of-the-art computational techniques and their applications in investigating the structure, ordering, diffusion, and phase transformation in cathode and anode materials for sodium-ion batteries. The unique capability and the obtained knowledge of computational studies as well as the perspectives for sodium-ion battery materials are discussed in this review.
机译：钠离子电池因其低成本，材料丰富，良好的可逆性和良好的能量密度而作为大规模电化学能量存储的有前途的解决方案引起了广泛的关注。为了使钠离子电池达到与当前的锂离子电池相当的性能，在阴极，阳极和电解质材料方面仍需要进行重大改进。了解材料的功能和降解机理至关重要。计算技术已与实验研究一起广泛应用，以提供对电极材料的关键基础见解，并促进钠离子电池材料的开发。在此，作者回顾了钠离子电池中电极材料的计算研究。作者总结了当前最先进的计算技术及其在研究钠离子电池正极和负极材料的结构，有序化，扩散和相变中的应用。在这篇综述中讨论了独特的能力和所获得的计算研究知识以及钠离子电池材料的前景。

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