Electron density distribution of LiMn_(2)O_(4)cathode investigated by synchrotron powder x-ray diffraction

作     者：Tongtong Shang Dongdong Xiao Qinghua Zhang Xuefeng Wang Dong Su Lin Gu 尚彤彤;肖东东;张庆华;王雪锋;苏东;谷林

作者机构：Beijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical SciencesUniversity of Chinese Academy of SciencesBeijing 100049China Songshan Lake Materials LaboratoryDongguan 523808China Yangtze River Delta Physics Research Center Co.Ltd.Liyang 213300China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2021年第30卷第7期

页      面：89-92页

核心收录：

学科分类：0808[工学-电气工程] 08[工学] 

基　　金：Beijing Natural Science Foundation,China(Grant No.Z190010) the National Key Research and Development Program of China(Grant No.2019YFA0308500) the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB07030200) Key Research Projects of Frontier Science of Chinese Academy of Sciences(Grant No.QYZDB-SSW-JSC035) the National Natural Science Foundation of China(Grant Nos.51421002,51672307,51991344,52025025,and 52072400) 

主　　题：lithium-ion batteries LiMn_(2)O_(4) electron density distribution 

摘      要：Electron density plays an important role in determining the properties of functional *** the electron density distribution experimentally in real space can help to tune the properties of *** Li Mn2 O4 is one of the most promising cathode candidates because of its high voltage,low cost,and non-toxicity,but suffers severe capacity fading during electrochemical cycling due to the Mn ***-space measurement of electron distribution of Li Mn2 O4 experimentally can provide direct evaluation on the strength of Mn–O bond and give an explanation of the structure ***,through high energy synchrotron powder x-ray diffraction(SPXRD),accurate electron density distribution in spinel Li Mn2 O4 has been investigated based on the multipole *** electron accumulation between Mn and O atoms in deformation density map indicates the shared interaction of Mn–O *** quantitative topological analysis at bond critical points shows that the Mn–O bond is relatively weak covalent interaction due to the oxygen *** findings suggest that oxygen stoichiometry is the key factor for preventing the Mn dissolution and capacity fading.