海歸學者發起的公益學術平臺
分享資訊, 整合資源
交流學術, 偶爾風月
由於鋰的成本高昂並且資源不足, 鈉離子電池因而得到了廣泛研究以便大規模應用。
An effective method to screen sodium-based layered materials for sodium ion batteries
Xu Zhang, Zihe Zhang, Sai Yao, An Chen, Xudong Zhao & Zhen Zhou
Due to the high cost and in sufficient resource of lithium, sodium-ion batteries are widely investigated for large-scale applications. Typically, insertion - type materials possess better cyclic stability than alloy - type and conversion-type ones. Therefore, in this work, we proposed a facile and effective method to screen sodium-based layered materials based on Materials Project database as potential candidate insertion-type materials for sodium ion batteries. The obtained Na-based layered materials contains 38 kinds of space group, which reveals that the credibility of our screening approach would not be affected by the space group. Then, some important indexes of the representative materials, including the average voltage, volume change and sodium ion mobility, were further studied by means of density functional theory computations. Some materials with extremely low volume changes and Na diffusion barriers are promising candidates for sodium ion batteries. We believe that our classification algorithm could also be used to search for other alkali and multivalent ion-based layered materials, to accelerate the development of battery materials.