空位缺陷
离子键合
扩散
材料科学
离子
离子半径
过渡金属
结晶学
之字形的
类型(生物学)
订单(交换)
化学
热力学
物理
催化作用
生物
生物化学
数学
经济
有机化学
生态学
财务
几何学
作者
Yuansheng Shi,Pengfeng Jiang,Shi‐Cheng Wang,Weixin Chen,Bin Wei,Xueyi Lu,Guoyu Qian,Wang Hay Kan,Wen Yin,Wen Yin,Yang Sun,Xia Lu
标识
DOI:10.1038/s41467-022-35597-4
摘要
The omnipresent Na+/vacancy orderings change substantially with the composition that inevitably actuate the ionic diffusion in rechargeable batteries. Therefore, it may hold the key to the electrode design with high rate capability. Herein, the influence of Na+/vacancy ordering on Na+ mobility is demonstrated firstly through a comparative investigation in P2-Na2/3Ni1/3Mn2/3O2 and P2-Na2/3Ni0.3Mn0.7O2. The large zigzag Na+/vacancy intralayer ordering is found to accelerate Na+ migration in P2-type Na2/3Ni1/3Mn2/3O2. By theoretical simulations, it is revealed that the Na+ ordering enables the P2-type Na2/3Ni1/3Mn2/3O2 with higher diffusivities and lower activation energies of 200 meV with respect to the P3 one. The quantifying diffusional analysis further prove that the higher probability of the concerted Na+ ionic diffusion occurs in P2-type Na2/3Ni1/3Mn2/3O2 due to the appropriate ratio of high energy ordered Na ions (Naf) occupation. As a result, the interplay between the Na+/vacancy ordering and Na+ kinetic is well understood in P2-type layered cathodes.
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