Water permeation across nanochannels with defects

Abstract

Defects are common in fabricated nanochannels. In this paper, water permeation across a single-walled carbon nanotube with defects was studied using molecular dynamics simulations. It is found that the impact on water permeation is negligible when the density of the defects is small, while a significant reduction in water permeation is observed when the density of the defects is high. These findings should be helpful in both understanding water permeation across nanochannels and designing efficient artificial nanochannel.