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Shi, R; Wang, YT; Shi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.; Shi, R (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing, Peoples R China.
Surface structure of ionic liquids under an external electric field
Source PublicationMOLECULAR SIMULATION
Language英语
KeywordIonic Liquids Surface Molecular Dynamics Simulation Electric Field
AbstractSurface structure and properties play an important role in many applications of ionic liquids (ILs). ILs can form unique surface structures that are very different from the bulk. In imidazolium-based ILs, for example, polar groups form ordered layer structure, while cationic alkyl chains are bundled together and point out from the surface. In many applications, ILs work under an external electric field. However, the effect of external electric field on the surface structure of ILs is still not clear. Here by using coarse-grained molecular dynamics simulation, we found that an electric field as strong as 1 V/nm is required to alter the surface structure of 1-dodecyl-3-methylimidazolium nitrate. Under a strong external electric field, layered structure disappears, and instead a sparser, more homogeneous and less orientationally ordered surface develops.
2017
Volume43Issue:13-16Pages:1295-1299
Subject AreaChemistry ; Physics
DOIhttp://dx.doi.org/10.1080/08927022.2017.1332412
Funding OrganizationNational Basic Research Program of China [973 program] [2013CB932804] ; National Basic Research Program of China [973 program] [2013CB932804] ; National Basic Research Program of China [973 program] [2013CB932804] ; National Basic Research Program of China [973 program] [2013CB932804] ; National Natural Science Foundation of China [11421063] ; National Natural Science Foundation of China [11421063] ; National Natural Science Foundation of China [11421063] ; National Natural Science Foundation of China [11421063]
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Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/22158
CollectionSCI期刊论文
计算平台成果
Corresponding AuthorShi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.; Shi, R (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing, Peoples R China.
Recommended Citation
GB/T 7714
Shi, R,Wang, YT,Shi, R ,et al. Surface structure of ionic liquids under an external electric field[J]. MOLECULAR SIMULATION,2017,43(13-16):1295-1299.
APA Shi, R,Wang, YT,Shi, R ,&Shi, R .(2017).Surface structure of ionic liquids under an external electric field.MOLECULAR SIMULATION,43(13-16),1295-1299.
MLA Shi, R,et al."Surface structure of ionic liquids under an external electric field".MOLECULAR SIMULATION 43.13-16(2017):1295-1299.
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