Ionic transport through a bilayer nanoporous graphene with cationic and anionic functionalization.

Understanding the ionic transport through multilayer nanoporous graphene (NPG) holds great promise for the design of novel nanofluidic devices. Bilayer NPG with different structures, such as nanopore offset and interlayer space, should be the most simple but representative multilayer NPG. In this work, we use molecular dynamics simulations to systematically investigate the ionic transport through a functionalized bilayer NPG, focusing on the effect of pore functionalization, offset, applied pressure and interlayer distance.

Electropumping Phenomenon in Modified Carbon Nanotubes.

Controlling the water transport in a given direction is essential to the design of novel nanofluidic devices, which is still a challenge because of thermal fluctuations on the nanoscale. In this work, we find an interesting electropumping phenomenon for charge-modified carbon nanotubes (CNTs) through a series of molecular dynamics simulations. In electric fields, the flowing counterions on the CNT inner surface provide a direct driving force for water conduction.

Rectification Correlation between Water and Ions through Asymmetric Graphene Channels.

Rectification phenomena occurring in asymmetric channels are essential for the design of novel nanofluidic devices such as nanodiodes. Previous studies mostly focus on ion current rectification, while its correlations with water dynamics are rarely explored. In this work, we analyze the transport of water and ions through asymmetric graphene channels under the drive of electric fields using molecular dynamics simulations.