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Surface structure of ionic liquids under an external electric field
Shi, R; Wang, YT; Shi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.
2017
发表期刊MOLECULAR SIMULATION
卷号43期号:13-16页码:1295-1299
文章类型Article
摘要Surface 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.
关键词Ionic Liquids Surface Molecular Dynamics Simulation Electric Field
学科领域Chemistry ; Physics
资助者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 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] ; 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 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]
DOIhttp://dx.doi.org/10.1080/08927022.2017.1332412
关键词[WOS]MOLECULAR-DYNAMICS SIMULATION ; SPATIAL HETEROGENEITY ; TAIL AGGREGATION ; INTERFACE ; FUTURE
语种英语
资助者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 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] ; 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 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]
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/22191
专题计算平台成果
通讯作者Shi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.
推荐引用方式
GB/T 7714
Shi, R,Wang, YT,Shi, R . 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 .(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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