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The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes
Tong, Jiahuan1,2; Wu, Shengli1; von Solms, Nicolas2; Liang, Xiaodong2; Huo, Feng1; Zhou, Qing1,3; He, Hongyan1; Zhang, Suojiang1,3
2020-02-04
Source PublicationFRONTIERS IN CHEMISTRY
ISSN2296-2646
Volume7Pages:10
AbstractIonic 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.
Keywordionic liquids electrolytes battery structure and property MD simulations
DOI10.3389/fchem.2019.00945
Language英语
WOS KeywordSUPERCONCENTRATED ELECTROLYTES ; FORCE-FIELD ; IMIDAZOLIUM ; SOLVATION ; SIMULATION ; RAMAN ; MIXTURES
Funding ProjectDepartment 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 Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
Funding OrganizationDepartment 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
WOS IDWOS:000515660800001
PublisherFRONTIERS MEDIA SA
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/39647
Collection中国科学院过程工程研究所
Corresponding AuthorLiang, Xiaodong; Huo, Feng; Zhang, Suojiang
Affiliation1.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
Recommended Citation
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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