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Atomic pair distribution function research on Li2MnO3 electrode structure evolution
Science Bulletin ( IF 18.9 ) Pub Date : 2019-03-22 , DOI: 10.1016/j.scib.2019.03.019
Yubo Yang 1 , Heng Su 2 , Tianhao Wu 2 , Yuyuan Jiang 3 , Danmin Liu 3 , Pengfei Yan 3 , Haolai Tian 4 , Haijun Yu 2
Affiliation  

The mechanism research of structure-related reactions on Li2MnO3 is important to enhance the electrochemical performance of lithium-manganese-rich layered oxides. Although there are some reports on the structure evolution of Li2MnO3 during cycling process, the employed research techniques are very limited, mainly in/ex-situ X-ray diffraction, X-ray absorption and transmission electron microscopy. Here, atomic pair distribution function, a method to study the local atomic arrangement on the basis of average spectroscopic information, is used for the first time to study the local structure evolution of Li2MnO3 during electrochemical charge/discharge cycles. The results clearly demonstrate that Mn3+/Mn4+ redox couple is activated and Mn ions are reduced during discharging process. Some Mn ions in Mn layers can significantly migrate to Li layers and occupy the octahedral sites. As a result, a portion of inserted Li ions can occupy the face-shared tetrahedron sites, accompanied by the formation of local spinel-like structure. This work provides an important and suitable method based on the average spectroscopic information to investigate the local structure of electrode materials of lithium-ion batteries as well as other advanced battery systems.



中文翻译:

Li2MnO3电极结构演化的原子对分布函数研究

Li 2 MnO 3上结构相关反应的机理研究对于提高富锂锰层状氧化物的电化学性能具有重要意义。尽管有一些关于Li 2 MnO 3在循环过程中结构演变的报道,但所采用的研究技术非常有限,主要是原位/非原位X射线衍射、X射线吸收和透射电子显微镜。在这里,原子对分布函数是一种基于平均光谱信息研究局域原子排列的方法,首次用于研究Li 2 MnO 3的局域结构演化。在电化学充电/放电循环期间。结果清楚地表明在放电过程中Mn 3+ /Mn 4+氧化还原对被激活并且Mn离子被还原。Mn层中的一些Mn离子可以显着迁移到Li层并占据八面体位点。结果,一部分插入的锂离子可以占据共面四面体位点,并伴随着局部尖晶石状结构的形成。这项工作为基于平均光谱信息研究锂离子电池以及其他先进电池系统电极材料的局部结构提供了一种重要且合适的方法。

更新日期:2019-03-22
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