双电层在小碳纳米管内壁收缩过程中的阻碍作用

Liwei Wang, Wei Si
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引用次数: 0

摘要

与其他碳纳米材料相比,碳纳米管因其独特的几何结构和惊人的性能而受到研究人员的青睐,其中之一是双壁碳纳米管(DWCNT)壁间微弱的范德华力。这种特性使得内壁相对于外壁的滑动、旋转或螺旋运动可以很容易地实现。然而,现有的基于这一特性的纳米器件大多只能在真空或大气环境中工作,很少能在离子溶液中工作。本研究首先分析了带电荷的单壁纳米管(SWCNT)浸泡在浓度为2M的KCL溶液中的离子浓度和离子迁移率。绘制了XOY截面上Cl−和K+离子的浓度分布图。双电层厚度约为5Å。MD模拟结果清楚地表明,在小碳纳米管内壁上产生的双电层可以阻碍内壁相对于外壁的收缩。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The Hindering Effect of the Electric Double Layer During the Retraction of the Inner Wall of a DWCNT
Compared with other carbon nanomaterials, carbon nanotubes are favored by researchers due to their unique geometric structure and amazing properties, one of which is the weak van der Waals force between the walls of double-walled carbon nanotubes (DWCNT). This property makes the sliding, rotation or screwlike motion of the inner wall relative to the outer wall can easily be implemented. However, most of the existing nanodevices based on this property can only work in vacuum or atmospheric environments, few of them can work in ionic solution. In present study, the ion concentration and ion mobility around a charged single-walled nanotube (SWCNT) which is immersed in KCL solution with the concentration of 2M was first analyzed. And the ion concentration distribution of Cl− and K+ on the XOY cross-section was plotted. The thickness of the electric double layer is about 5Å. The MD simulation results clearly show that the electric double layer generated on the inner wall of DWCNT can hinder the retraction of the inner wall relative to the outer wall.
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