Knowledge Management System Of Shanghai Institute of Applied Physics, CAS
| Ordering layers of [bmim][PF(6)] ionic liquid on graphite surfaces: Molecular dynamics simulation | |
| Sha, ML(沙茂林）; Zhang, FC（张富春）; Wu, GZ（吴国忠）; Fang, HP（方海平）; Wang, CL; Chen, SM（陈仕谋）; Zhang, Y（张益）; Hu, J（胡钧）; Wu, GZ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China | |
| 2008 | |
| Source Publication | JOURNAL OF CHEMICAL PHYSICS
 |
| ISSN | 0021-9606 |
| Volume | 128Issue:13 |
| Abstract | Microscopic structures of room temperature ionic liquid (IL) [bmim][PF(6)] on hydrophobic graphite surfaces have been studied in detail by molecular dynamics simulation. It is clearly shown that both the mass and electron densities of the surface adsorbed ionic liquid are oscillatory, and the first peak adjacent to the graphite surface is considerably higher than others, corresponding to a solidlike IL bottom layer of 6 A thick. Three IL layers are indicated between the graphite surface and the inner bulk IL liquid. The individually simulated properties of single-, double-, and triple-IL layers on the graphite surface are very similar to those of the layers between the graphite surface and the bulk liquid, indicating an insignificant effect of vapor-IL interface on the ordered IL layers. The simulation also indicates that the imidazolium ring and butyl tail of the cation (bmim(+)) of the IL bottom layer lie flat on the graphite surface. |
| Subject Area | Engineering |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 应物所项目组 |
| WOS ID | WOS:000254778800028 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/7791 |
| Collection | 中科院上海应用物理研究所2004-2010年 |
| Corresponding Author | Wu, GZ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China |
| Recommended Citation GB/T 7714 | Sha, ML,Zhang, FC,Wu, GZ,et al. Ordering layers of [bmim][PF(6)] ionic liquid on graphite surfaces: Molecular dynamics simulation[J]. JOURNAL OF CHEMICAL PHYSICS,2008,128(13). |
| APA | Sha, ML.,Zhang, FC.,Wu, GZ.,Fang, HP.,Wang, CL.,...&Wu, GZ .(2008).Ordering layers of [bmim][PF(6)] ionic liquid on graphite surfaces: Molecular dynamics simulation.JOURNAL OF CHEMICAL PHYSICS,128(13). |
| MLA | Sha, ML,et al."Ordering layers of [bmim][PF(6)] ionic liquid on graphite surfaces: Molecular dynamics simulation".JOURNAL OF CHEMICAL PHYSICS 128.13(2008). |
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