Jian Liu, Guosheng Shi, Pan Guo, Jinrong Yang, Haiping Fang
{"title":"阳离子与芳环相互作用对碳纳米管中水流动的影响。","authors":"Jian Liu, Guosheng Shi, Pan Guo, Jinrong Yang, Haiping Fang","doi":"10.1103/PhysRevLett.115.164502","DOIUrl":null,"url":null,"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.","PeriodicalId":20069,"journal":{"name":"Physical review letters","volume":null,"pages":null},"PeriodicalIF":8.1000,"publicationDate":"2015-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1103/PhysRevLett.115.164502","citationCount":"87","resultStr":"{\"title\":\"Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings.\",\"authors\":\"Jian Liu, Guosheng Shi, Pan Guo, Jinrong Yang, Haiping Fang\",\"doi\":\"10.1103/PhysRevLett.115.164502\",\"DOIUrl\":null,\"url\":null,\"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.\",\"PeriodicalId\":20069,\"journal\":{\"name\":\"Physical review letters\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.1000,\"publicationDate\":\"2015-10-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1103/PhysRevLett.115.164502\",\"citationCount\":\"87\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical review letters\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1103/PhysRevLett.115.164502\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical review letters","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/PhysRevLett.115.164502","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Blockage of Water Flow in Carbon Nanotubes by Ions Due to Interactions between Cations and Aromatic Rings.
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.
期刊介绍:
Physical review letters(PRL)covers the full range of applied, fundamental, and interdisciplinary physics research topics:
General physics, including statistical and quantum mechanics and quantum information
Gravitation, astrophysics, and cosmology
Elementary particles and fields
Nuclear physics
Atomic, molecular, and optical physics
Nonlinear dynamics, fluid dynamics, and classical optics
Plasma and beam physics
Condensed matter and materials physics
Polymers, soft matter, biological, climate and interdisciplinary physics, including networks