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| Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings | |
| Liu, J; Shi, GS; Guo, P; Yang, JR; Fang, HP; Liu, J (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China. | |
| 2015 | |
| Source Publication | PHYSICAL REVIEW LETTERS
 |
| ISSN | 0031-9007 |
| Volume | 115Issue:16Pages:— |
| Subtype | 期刊文献 |
| Abstract | Combining classical molecular dynamics simulations and density functional theory calculations, we find that cations block water flow through narrow (6,6)-type carbon nanotubes (CNTs) because of interactions between cations and aromatic rings in CNTs. In wide CNTs, these interactions trap the cations in the interior of the CNT, inducing unexpected open or closed state switching of ion transfer under a strong electric field, which is consistent with experiments. These findings will help to develop new methods to facilitate water and ion transport across CNTs. |
| Keyword | Molecular-dynamics Pi Interaction Channel Desalination Transport Membranes Pores Graphene Energy Selectivity |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000362909100012 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/24875 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Corresponding Author | Liu, J (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China. |
| Recommended Citation GB/T 7714 | Liu, J,Shi, GS,Guo, P,et al. Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings[J]. PHYSICAL REVIEW LETTERS,2015,115(16):—. |
| APA | Liu, J,Shi, GS,Guo, P,Yang, JR,Fang, HP,&Liu, J .(2015).Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings.PHYSICAL REVIEW LETTERS,115(16),—. |
| MLA | Liu, J,et al."Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings".PHYSICAL REVIEW LETTERS 115.16(2015):—. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Blockage of Water Fl（1036KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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