DNA translocation through single-layer boron nitride nanopores
Ultra-thin nanopores have become promising biological sensors because of their
outstanding signal-to-noise ratio and spatial resolution. Here, we show that boron nitride …
outstanding signal-to-noise ratio and spatial resolution. Here, we show that boron nitride …
Alcohol-induced drying of carbon nanotubes and its implications for alcohol/water separation: A molecular dynamics study
Alcohols are important products in chemical industry, but separating them from their
aqueous solutions is very difficult due to the hydrophilic nature of alcohols. Based on …
aqueous solutions is very difficult due to the hydrophilic nature of alcohols. Based on …
Unexpected spontaneous dynamic oxygen migration on carbon nanotubes
Combining density functional theory (DFT) calculations and ab initio molecular dynamics
(AIMD) simulations, we show that oxygen functional groups exhibit unexpected spontaneous …
(AIMD) simulations, we show that oxygen functional groups exhibit unexpected spontaneous …
Dependence of the dynamics of spontaneous imbibition into carbon nanotubes on the strength of molecular interactions
We use molecular dynamics simulation to investigate the effect of the strength of water–wall
interaction on the spontaneous imbibition of water into a single-wall carbon nanotube at …
interaction on the spontaneous imbibition of water into a single-wall carbon nanotube at …
Factors resisting protein adsorption on hydrophilic/hydrophobic self-assembled monolayers terminated with hydrophilic hydroxyl groups
D Mao, YY Wu, Y Tu - Chinese Physics B, 2024 - iopscience.iop.org
The hydroxyl-terminated self-assembled monolayer (OH-SAM), as a surface resistant to
protein adsorption, exhibits substantial potential in applications such as ship navigation and …
protein adsorption, exhibits substantial potential in applications such as ship navigation and …
Temperature-dependence of wetting properties of carbon nanotubes
We have carried out molecular dynamics simulations to study the spontaneous imbibition of
water into a single-wall carbon nanotube (CNT) at various temperatures, ranging from 270 K …
water into a single-wall carbon nanotube (CNT) at various temperatures, ranging from 270 K …
Charge-signal multiplication mediated by urea wires inside Y-shaped carbon nanotubes
In previous studies, we reported molecular dynamics (MD) simulations showing that single-
file water wires confined inside Y-shaped single-walled carbon nanotubes (Y-SWNTs) held …
file water wires confined inside Y-shaped single-walled carbon nanotubes (Y-SWNTs) held …
From dimers to collective dipoles: Structure and dynamics of methanol/ethanol partition by narrow carbon nanotubes
Alcohol partitioning by narrow single-walled carbon nanotubes (SWCNTs) holds the
promise for the development of novel nanodevices for diverse applications. Consequently …
promise for the development of novel nanodevices for diverse applications. Consequently …
System-size effect on the friction at liquid-solid interfaces
The friction at the liquid-solid interfaces is widely involved in various phenomena ranging
from nanometer to micrometer scales. By the molecular dynamic (MD) simulation, the friction …
from nanometer to micrometer scales. By the molecular dynamic (MD) simulation, the friction …
Bio-mimicking of proline-rich motif applied to carbon nanotube reveals unexpected subtleties underlying nanoparticle functionalization
Here, we report computational studies of the SH3 protein domain interacting with various
single-walled carbon nanotubes (SWCNT) either bare or functionalized by mimicking the …
single-walled carbon nanotubes (SWCNT) either bare or functionalized by mimicking the …