2013
DOI: 10.1103/physrevlett.110.254501
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Water Transport through Carbon Nanotubes with the Radial Breathing Mode

Abstract: 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 prop… Show more

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Cited by 64 publications
(64 citation statements)
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References 54 publications
(62 reference statements)
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“…The P WC profiles are symmetric and P WC is enhanced slightly with increasing θ from 0º to 90º. 27,31,33 As such, 〈flux〉 increases as θ increases from 0º to 80º. Like P WW , the P total profiles are asymmetric and the value of P total reduces as θ increases.…”
Section: Resultsmentioning
confidence: 92%
See 1 more Smart Citation
“…The P WC profiles are symmetric and P WC is enhanced slightly with increasing θ from 0º to 90º. 27,31,33 As such, 〈flux〉 increases as θ increases from 0º to 80º. Like P WW , the P total profiles are asymmetric and the value of P total reduces as θ increases.…”
Section: Resultsmentioning
confidence: 92%
“…On the other hand, simple nanochannels, such as single-walled carbon nanotubes (CNT) or single-walled boron nitride nanotubes, can be used as prototypes to study some primary properties of water molecules in these molecular channels. 25,26 Furthermore, the flux of water across the nanochannels can be well controlled by many factors, such as a stationary or vibratory external charge, [27][28][29][30][31] the deformation of the nanochannel, 32 the radial breathing mode vibration, 33 and a temperature difference. 23 In fact, water molecules can move unidirectionally through the nanochannels when an osmotic pressure exists.…”
Section: Introductionmentioning
confidence: 99%
“…Thus, if the nanotube cannot be fixed, the nanotube–fullerene system without an external excitation is not suited for oscillator applications. However, besides their use in oscillators, nanotubes can also be used as the channel for transporting different types of molecules . It is clear from Fig.…”
Section: Resultsmentioning
confidence: 99%
“…These properties have qualified them as a useful candidate for building integrated chips, biosensors, ion‐transport channels, nanoelectromechanical systems (NEMSs), and for a varied range of other usages . The latest technology of creating small open‐ended pipes out of nanotubes has also made them suitable as a channel for the transport of water, ions, and some other molecules like proteins, DNA, and peptides for the purpose of drug delivery . Geng et al reported stochastic nature of the transport of water, protons, small ions, and DNA through “CNT porins” and showed that the conductance and ion selectivity of the channel can be controlled in presence of local channel and membrane charges .…”
Section: Introductionmentioning
confidence: 99%
“…We note that, a majority of kinetic and dynamic processes related to molecules take place in nanoscale space [1][2][3][19][20][21][22] and accomplish in just several picoseconds [23,24], such as self-assembling [25][26][27][28][29], triggering chemical reaction [7,30], intercellular signal transduction [31], and neurotransmission [32]. Unfortunately, there is rare report on the unconventional behavior in the free motion of the molecules/nanoparticles solely under thermal fluctuations within short time at the nanoscale.On the other hand, molecular dynamics (MD) simulation has been widely accepted as a powerful tool for studying the dynamics of molecules at nanoscales [33][34][35][36][37][38][39][40][41][42]. Our recent atomistic MD simulations showed interesting anisotropic motion of small asymmetric solute molecules, such as methanol and glycine, in water solely due to thermal fluctuations, which indicates the existence of rich dynamic behavior of asymmetric molecules in nano-space at finite timescales [43,44].…”
mentioning
confidence: 86%