The ON-OFF state transition of the water transport induced by the structural bending of a carbon nanotube is studied by molecule dynamics simulation. The water permeation through a bent carbon nanotube shows excellent...The ON-OFF state transition of the water transport induced by the structural bending of a carbon nanotube is studied by molecule dynamics simulation. The water permeation through a bent carbon nanotube shows excellent gating property with a threshold bending angle of about 14.6°. We also investigate the water density distribution inside the nanochannel to illustrate the mechanism.展开更多
基金Supported by Chinese Academy of Sciences, the National Natural Science Foundation of China under Grant Nos 10674146 and 10825520, the National Basic Research Program of China under Grant No 2007CB936000, and Shanghai Supercomputer Center.
文摘The ON-OFF state transition of the water transport induced by the structural bending of a carbon nanotube is studied by molecule dynamics simulation. The water permeation through a bent carbon nanotube shows excellent gating property with a threshold bending angle of about 14.6°. We also investigate the water density distribution inside the nanochannel to illustrate the mechanism.