纳米孔中水压缩引起的离子负差电阻。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2024-10-21 DOI:10.1063/5.0227305
Haojing Tan, Zhi He, Ruhong Zhou, Jiandong Feng
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引用次数: 0

摘要

纳米级通道的质量传输行为受到纳米封闭水的结构和动力学的极大影响,在许多生物物理过程中发挥着至关重要的作用。然而,人们对纳米封闭水在外力场作用下的动力学及其影响仍不完全了解。在此,我们在分子动力学模拟的基础上,从理论上证明了[Bmim][PF6]通过石墨烯膜窄孔的离子电流表现出离子负差阻效应--离子电流随着电压升高超过一定阈值而减小。由于流体连续性和均匀性假设在超薄纳米孔中不再有效,这种效应违反了传统的流体动力学原理。原子薄层周围的电场梯度对纳米孔内的极化水产生了强大的梯度力。这种经介电泳压缩的水产生的静水压力会阻止离子进入纳米孔。我们的发现可能会加深人们对支配离子通过纳米孔传输的静水机制的理解。
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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.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
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.
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