Comprehensive study of tantalum doping on morphology, structure, and electrochemical performance of Ni-rich cathode materials
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 dopi...
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| Published in | Electrochimica acta Vol. 403; p. 139653 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Oxford
Elsevier Ltd
20.01.2022
Elsevier BV |
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| Online Access | Get full text |
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| Abstract | 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 Ni-rich 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. |
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| AbstractList | 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 Ni-rich 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. 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 Ni-rich 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. |
| ArticleNumber | 139653 |
| Author | Ge, Wujie Ma, Xianguo Li, Xiang Peng, Gongchang Zhang, Keke Fu, Yuanxiang |
| Author_xml | – sequence: 1 givenname: Xiang surname: Li fullname: Li, Xiang email: lixiang@haust.edu.cn organization: School of Materials Science and Engineering, Henan University of Science and Technology, Luoyang 471023, PR China – sequence: 2 givenname: Wujie surname: Ge fullname: Ge, Wujie email: gewj0359@163.com organization: School of Chemical Engineering, Guizhou Institute of Technology, Guiyang 550003, PR China – sequence: 3 givenname: Keke surname: Zhang fullname: Zhang, Keke email: zhkekekd@163.com organization: School of Materials Science and Engineering, Henan University of Science and Technology, Luoyang 471023, PR China – sequence: 4 givenname: Gongchang surname: Peng fullname: Peng, Gongchang organization: Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu 610041, PR China – sequence: 5 givenname: Yuanxiang surname: Fu fullname: Fu, Yuanxiang organization: School of Chemical Engineering, Guizhou Institute of Technology, Guiyang 550003, PR China – sequence: 6 givenname: Xianguo surname: Ma fullname: Ma, Xianguo organization: School of Chemical Engineering, Guizhou Institute of Technology, Guiyang 550003, PR China |
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| SubjectTerms | Cathode Cathodes Cycles Density functional theory Doping Electrochemical analysis Electrode materials Lithium Lithium-ion battery Morphology Ni-rich Structural stability Tantalum |
| Title | Comprehensive study of tantalum doping on morphology, structure, and electrochemical performance of Ni-rich cathode materials |
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