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The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes

文献类型：期刊论文

作者Tong, Jiahuan1,2; Wu, Shengli1; von Solms, Nicolas2; Liang, Xiaodong2; Huo, Feng1; Zhou, Qing1,3; He, Hongyan1; Zhang, Suojiang1,3
刊名FRONTIERS IN CHEMISTRY
出版日期2020-02-04
卷号7页码:10
关键词ionic liquids electrolytes battery structure and property MD simulations
ISSN号2296-2646
DOI10.3389/fchem.2019.00945
英文摘要Ionic liquids (ILs) are used as electrolytes in high-performance lithium-ion batteries, which can effectively improve battery safety and energy storage capacity. All atom molecular dynamics simulation and experiment were combined to investigate the effect of the concentration of lithium salt on the performance of electrolytes of four IL solvents ([C(n)mim][TFSI] and [C(n)mim][FSI], n = 2, 4). The IL electrolytes exhibit higher density and viscosity; meanwhile, larger lithium ion transfer numbers as the concentration of LiTFSI increases. Furthermore, in order to explore the effect of the concentration of lithium salt on the ionic associations of Li+ and anion of IL, the microstructures of the lithium salt in various IL electrolytes at different concentrations were investigated. The structural analysis indicated that strong bidentate and monodentate coordination was found between Li+ and anion of all IL electrolytes. Both cis and trans isomerism of [FSI](-) were observed in [FSI](-)-type IL electrolyte systems. Furthermore, the existence of the ion cluster [Li[anion](x)]((x-1)-) in IL electrolytes and the cluster became more closed and compact as the concentration of LiTFSI increases.
WOS关键词SUPERCONCENTRATED ELECTROLYTES ; FORCE-FIELD ; IMIDAZOLIUM ; SOLVATION ; SIMULATION ; RAMAN ; MIXTURES
资助项目Department of Chemical & Biochemical Engineering, Technical University of Denmark ; Beijing Natural Science Foundation[2192052] ; General Program of National Natural Science Foundation of China[21878295] ; General Program of National Natural Science Foundation of China[21978291] ; Major Program of National Natural Science Foundation of China[21890762]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000515660800001
出版者FRONTIERS MEDIA SA
资助机构Department of Chemical & Biochemical Engineering, Technical University of Denmark ; Beijing Natural Science Foundation ; General Program of National Natural Science Foundation of China ; Major Program of National Natural Science Foundation of China
源URL[http://ir.ipe.ac.cn/handle/122111/39646]  
专题中国科学院过程工程研究所
通讯作者Liang, Xiaodong; Huo, Feng; Zhang, Suojiang
作者单位1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn, Beijing, Peoples R China
2.Tech Univ Denmark, Dept Chem & Biochem Engn, Lyngby, Denmark
3.Univ Chinese Acad Sci, Coll Chem & Chem Engn, Beijing, Peoples R China
推荐引用方式
GB/T 7714		 Tong, Jiahuan,Wu, Shengli,von Solms, Nicolas,et al. The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes[J]. FRONTIERS IN CHEMISTRY,2020,7:10.
APA Tong, Jiahuan.,Wu, Shengli.,von Solms, Nicolas.,Liang, Xiaodong.,Huo, Feng.,...&Zhang, Suojiang.(2020).The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes.FRONTIERS IN CHEMISTRY,7,10.
MLA Tong, Jiahuan,et al."The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes".FRONTIERS IN CHEMISTRY 7(2020):10.

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来源：过程工程研究所

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