Water transport through carbon nanotubes with the radial breathing mode.
Water transport through carbon nanotubes with the radial breathing mode.
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DOI：
10.1103/physrevlett.110.254501
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发表时间：
2013-04
影响因子：
8.6
通讯作者：
Qi-Lin Zhang;Wei-Zhou Jiang;Jian Liu;R. Miao;N. Sheng
中科院分区：
文献类型：
--
作者：
Qi-Lin Zhang;Wei-Zhou Jiang;Jian Liu;R. Miao;N. Sheng
利用分子动力学模拟方法研究了径向呼吸模式（RBM）振动下单壁碳纳米管的水渗透行为。结果表明，在5000 ~ 11000 GHz频率范围内，RBM能有效地破坏水链上的氢键，使净流量显著增加，使管内水分子的平均数显著减少，而远离该频率范围，水分子的输运特性几乎不受RBM的影响.这种现象可以理解为水分子链对RBM的共振响应。我们的研究结果将有助于高通量纳米通道的设计和生物活动的理解，特别是水通道。
Molecular dynamics simulations are performed to investigate the water permeation across the single-walled carbon nanotube with the radial breathing mode (RBM) vibration. It is found that the RBM can play a significant role in breaking the hydrogen bonds of the water chain, accordingly increasing the net flux dramatically, and reducing drastically the average number of water molecules inside the tube with the frequency ranging from 5000 to 11 000 GHz, while far away from this frequency region the transport properties of water molecules are almost unaffected by the RBM. This phenomenon can be understood as the resonant response of the water molecule chain to the RBM. Our findings are expected to be helpful for the design of high-flux nanochannels and the understanding of biological activities, especially the water channelling.