Zhang, Qi-Lin; Yang, Rong-Yao; Jiang, Wei-Zhou; Huang, Zi-Qian
Fast water channeling across carbon nanotubes in far infrared terahertz electric fields
NANOSCALE, 8:1886-1891, 2016

Using molecular dynamics simulations, we investigate systematically the water permeation properties across single-walled carbon nanotubes (SWCNT) in the presence of the terahertz electric field (TEF). With the TEF normal to the nanotube, the fracture of the hydrogen bonds results in the giant peak of net fluxes across the SWCNT with a three-fold enhancement centered around 14 THz. The phenomenon is attributed to the resonant mechanisms, characterized by librational, rotational, and rotation-induced responses of in-tube polar water molecules to the TEF. For the TEF along the symmetry axis of the nanotube, the vortical modes for resonances and consequently the enhancement of net fluxes are greatly suppressed by the alignment of polar water along the symmetry axis, which characterizes the quasi one-dimensional feature of the SWCNT nicely. The resonances of water molecules in the TEF can have potential applications in the high-flux device designs used for various purposes.


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