中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Effect of Ni2+ on Lithium-Ion Diffusion in Layered LiNi1-x-yMnxCoyO2 Materials

文献类型:期刊论文

作者Zhu, Yuanyuan2,3,4; Huang, Yang1; Du, Rong2,3; Tang, Ming2,3; Wang, Baotian2,3,4,5; Zhang, Junrong2,3,4
刊名CRYSTALS
出版日期2021-05-01
卷号11期号:5页码:12
关键词lithium-ion batteries Li-ion diffusion Li/Ni anti-site molecular dynamics
ISSN号2073-4352
DOI10.3390/cryst11050465
通讯作者Zhang, Junrong(jrzhang@ihep.ac.cn)
英文摘要LiNi1-x-yMnxCoyO2 materials are a typical class of layered cathode materials with excellent electrochemical performance in lithium-ion batteries. Molecular dynamics simulations are performed for LiNi1-x-yMnxCoyO2 materials with different transition metal ratios. The Li/Ni exchange ratio, ratio of anti-site Ni2+ to total Ni2+, and diffusion coefficient of Li ions in these materials are calculated. The results show that the Li-ion diffusion coefficient strongly depends on the ratio of anti-site Ni2+ to total Ni2+ because their variation tendencies are similar. In addition, the local coordination structure of the Li/Ni anti-site is analyzed.
资助项目National Natural Science Foundation of China[11675195] ; National Key R&D Program of China[2017YFA0403700] ; Key Research Program of Frontier Sciences, CAS[292016YQYKXJ00135]
WOS研究方向Crystallography ; Materials Science
语种英语
WOS记录号WOS:000653803600001
出版者MDPI
源URL[http://119.78.100.138/handle/2HOD01W0/13571]  
专题中国科学院重庆绿色智能技术研究院
通讯作者Zhang, Junrong
作者单位1.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China
2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
3.Spallat Neutron Source Sci Ctr, Dongguan 523808, Peoples R China
4.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China
5.Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Peoples R China
推荐引用方式
GB/T 7714
Zhu, Yuanyuan,Huang, Yang,Du, Rong,et al. Effect of Ni2+ on Lithium-Ion Diffusion in Layered LiNi1-x-yMnxCoyO2 Materials[J]. CRYSTALS,2021,11(5):12.
APA Zhu, Yuanyuan,Huang, Yang,Du, Rong,Tang, Ming,Wang, Baotian,&Zhang, Junrong.(2021).Effect of Ni2+ on Lithium-Ion Diffusion in Layered LiNi1-x-yMnxCoyO2 Materials.CRYSTALS,11(5),12.
MLA Zhu, Yuanyuan,et al."Effect of Ni2+ on Lithium-Ion Diffusion in Layered LiNi1-x-yMnxCoyO2 Materials".CRYSTALS 11.5(2021):12.

入库方式: OAI收割

来源:重庆绿色智能技术研究院

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