Surface structure of ionic liquids under an external electric field
文献类型：期刊论文
| 作者 | 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.
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| 刊名 | MOLECULAR SIMULATION
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| 出版日期 | 2017 |
| 卷号 | 43期号:13-16页码:1295-1299 |
| 关键词 | Ionic Liquids Surface Molecular Dynamics Simulation Electric Field |
| DOI | http://dx.doi.org/10.1080/08927022.2017.1332412 |
| 英文摘要 | 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. |
| 学科主题 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000416672600040 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/22158]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 计算平台成果 |
| 通讯作者 | 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. |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：理论物理研究所
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