{"title":"纳米孔中水压缩引起的离子负差电阻。","authors":"Haojing Tan, Zhi He, Ruhong Zhou, Jiandong Feng","doi":"10.1063/5.0227305","DOIUrl":null,"url":null,"abstract":"<p><p>The mass transport behavior through nanoscale channels, greatly influenced by the structures and dynamics of nanoconfined water, plays an essential role in many biophysical processes. However, the dynamics of nanoconfined water under an external field and its effects are still not fully understood. Here, on the basis of molecular dynamics simulations, we theoretically show that the ionic current of [Bmim][PF6] through narrow pores in graphene membrane exhibits an ionic negative differential resistance effect-the ionic current decreases as the voltage increases over a certain threshold. This effect arises from the violation of traditional fluid dynamics as the assumption of continuity and homogeneity of fluids is no longer effective in ultrathin nanopores. The gradient of electric field around the atomic-thin layer produces a strong gradient force on the polarized water inside the nanopore. This dielectrophoretically compressed water leads to a hydrostatic force that repels ions from entering the nanopore. Our findings may advance the understanding of hydrostatic mechanism, which governs ion transport through nanopores.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Water compression induced ionic negative differential resistance in nanopores.\",\"authors\":\"Haojing Tan, Zhi He, Ruhong Zhou, Jiandong Feng\",\"doi\":\"10.1063/5.0227305\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The mass transport behavior through nanoscale channels, greatly influenced by the structures and dynamics of nanoconfined water, plays an essential role in many biophysical processes. However, the dynamics of nanoconfined water under an external field and its effects are still not fully understood. Here, on the basis of molecular dynamics simulations, we theoretically show that the ionic current of [Bmim][PF6] through narrow pores in graphene membrane exhibits an ionic negative differential resistance effect-the ionic current decreases as the voltage increases over a certain threshold. This effect arises from the violation of traditional fluid dynamics as the assumption of continuity and homogeneity of fluids is no longer effective in ultrathin nanopores. The gradient of electric field around the atomic-thin layer produces a strong gradient force on the polarized water inside the nanopore. This dielectrophoretically compressed water leads to a hydrostatic force that repels ions from entering the nanopore. Our findings may advance the understanding of hydrostatic mechanism, which governs ion transport through nanopores.</p>\",\"PeriodicalId\":15313,\"journal\":{\"name\":\"Journal of Chemical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-10-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0227305\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0227305","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Water compression induced ionic negative differential resistance in nanopores.
The mass transport behavior through nanoscale channels, greatly influenced by the structures and dynamics of nanoconfined water, plays an essential role in many biophysical processes. However, the dynamics of nanoconfined water under an external field and its effects are still not fully understood. Here, on the basis of molecular dynamics simulations, we theoretically show that the ionic current of [Bmim][PF6] through narrow pores in graphene membrane exhibits an ionic negative differential resistance effect-the ionic current decreases as the voltage increases over a certain threshold. This effect arises from the violation of traditional fluid dynamics as the assumption of continuity and homogeneity of fluids is no longer effective in ultrathin nanopores. The gradient of electric field around the atomic-thin layer produces a strong gradient force on the polarized water inside the nanopore. This dielectrophoretically compressed water leads to a hydrostatic force that repels ions from entering the nanopore. Our findings may advance the understanding of hydrostatic mechanism, which governs ion transport through nanopores.
期刊介绍:
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
Biological Molecules and Networks.