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
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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 |
DOI | 10.3390/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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