文献类型：期刊文献

英文题名：Comprehensive study of tantalum doping on morphology, structure, and electrochemical performance of Ni-rich cathode materials

作者：Li, Xiang Ge, Wujie Zhang, Keke Peng, Gongchang Fu, Yuanxiang Ma, Xianguo

第一作者：Li, Xiang

通信作者：Zhang, KK[1];Ge, WJ[2]|[144406c99dd0bf2460171]葛武杰;

机构：[1]Henan Univ Sci & Technol, Sch Mat Sci & Engn, Luoyang 471023, Peoples R China;[2]Henan Univ Sci & Technol, Sch Chem Engineer & Pharm, Luoyang 471023, Peoples R China;[3]Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Peoples R China;[4]Chinese Acad Sci, Chengdu Inst Organ Chem, Chengdu 610041, Peoples R China

第一机构：Henan Univ Sci & Technol, Sch Mat Sci & Engn, Luoyang 471023, Peoples R China

通信机构：corresponding author), Henan Univ Sci & Technol, Sch Mat Sci & Engn, Luoyang 471023, Peoples R China;corresponding author), Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Peoples R China.|贵州理工学院化学工程学院;贵州理工学院;

年份：2022

卷号：403

外文期刊名：ELECTROCHIMICA ACTA

收录：;EI(收录号：20215011319012);Scopus(收录号：2-s2.0-85120894335);WOS:【SCI-EXPANDED(收录号:WOS:000775936900002)】；

基金：Acknowledgements This work was supported by the National Natural Science Foun-dation of China (Nos. 21805053 , 51963004) , the Science and Tech-nology Planning Project of Guizhou Province (No. [201911132) ; High Level Scientific Research Funding Project of Guizhou Institute of Technology (XJGC20190901) ; Key Scientific Research Projects of Colleges and Universities of Henan Province (No. 21A150018) .

语种：英文

外文关键词：Tantalum; Lithium-ion battery; Ni-rich; Cathode; Doping

摘要：Due to their high specific capacity, nickel (Ni)-rich layered oxide cathode materials are considered to be promising for use as cathode materials in lithium (Li)-ion batteries. However, such materials exhibit poor cycling performance, which hinders their commercial applications. Herein, Ta bulk doping in Nirich layered oxide cathode materials is comprehensively analysed using experimental results and density functional theory calculations. It is observed that Ta5+ uniformly distributes in the bulk of the cathode materials. Further studies reveal that Ta prefers to enter both Li and TM sites, and when the doping amount increases Ta doped at TM site dominates. After Ta doping, the energy of the (001) facets is lowered, which thus affects the primary particle morphology, resulting in a preferential growth mode that produce elongated and radially oriented primary particles. A Ni-rich cathode material doped with 1 wt% of Ta shows the best cycling and rate performance, which indicates that a certain level of Ta doping is beneficial towards improving the structural stability and electrochemical performance of Ni-rich cathode materials.& nbsp;(c) 2021 Elsevier Ltd. All rights reserved.