Using molecular dynamics simulations, we have investigated the impact of the ice-like water monolayer inside the tube and nearest to the tube wall on the diffusion properties of other inner water shells confined within a charged nanotube. We find that the axial diffusion coefficient of the first water monolayer near the wall monotonously decreases with the charge size on the nanotube, indicating a tighter control of the first monolayer from the larger sized charge. However, for the other water shells, the diffusion coefficients increase when the charge is larger than a critical value q(c) (similar to 1.0 e). This unexpected phenomenon is attributed to the decreased number of hydrogen bonds between the first monolayer and other inner water shells caused by the very unique hydrogen-bond network patterns in the first ice-like monolayer, which makes it behave like a "hydrophobic water layer." Our findings may have implications for water treatment, non-fouling surfaces, catalysis engine, and biological sensor. (C) 2013 AIP Publishing LLC.
Zhou, XY,Wang, CL,Wu, FM,et al. The ice-like water monolayer near the wall makes inner water shells diffuse faster inside a charged nanotube[J]. JOURNAL OF CHEMICAL PHYSICS,2013,138(20):204710.
Zhou, XY.,Wang, CL.,Wu, FM.,Feng, M.,Li, JY.,...&Zhou, RH；李敬源.(2013).The ice-like water monolayer near the wall makes inner water shells diffuse faster inside a charged nanotube.JOURNAL OF CHEMICAL PHYSICS,138(20),204710.
Zhou, XY,et al."The ice-like water monolayer near the wall makes inner water shells diffuse faster inside a charged nanotube".JOURNAL OF CHEMICAL PHYSICS 138.20(2013):204710.