A mini-review on dispersion and functionalization of boron nitride nanotubes
Boron nitride nanotubes (BNNTs) are of intense scientific interest due to their unrivaled
physicochemical characteristics, extraordinary thermal, electronic, mechanical, optical …
physicochemical characteristics, extraordinary thermal, electronic, mechanical, optical …
Exploring hydrophobicity or hydrophilicity of borophene surface via reactive molecular dynamics simulation
Borophene, a novel two-dimensional material unveiled in 1998, has garnered significant
interest among researchers due to its distinct mechanical and electrical characteristics …
interest among researchers due to its distinct mechanical and electrical characteristics …
Controlled hydrophilization of black phosphorene: a reactive molecular dynamics simulation approach
Following the exceptional electrical and optical properties of black phosphorene, its wetting
behavior has attracted the attention of many researchers. In the present study, reactive …
behavior has attracted the attention of many researchers. In the present study, reactive …
An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection
Many important processes in cells depend on the transfer of protons through water wires
embedded in transmembrane proteins. Herein, we have performed more than 55 μs all-atom …
embedded in transmembrane proteins. Herein, we have performed more than 55 μs all-atom …
Wettability of net C, net W and net Y: a molecular dynamics simulation study
The experimental synthesis of biphenylene, a two-dimensional carbon allotrope,
theoretically predicted in 1997, took place in 2021. Biphenylene is also called net C. Two …
theoretically predicted in 1997, took place in 2021. Biphenylene is also called net C. Two …
Computer Simulation of the interaction between SARS-CoV-2 Spike protein and the surface of coinage metals
A prominent feature of the SARS-CoV-2 virus is the presence of a large glycoprotein spike
protruding from the virus envelope. The spike determines the interaction of the virus with the …
protruding from the virus envelope. The spike determines the interaction of the virus with the …
Polystyrene nanoparticles as a flotation collector: A molecular dynamics study
Nanoparticles have significant potential as new candidates for generating new types of
flotation reagents with unique performance for wettability design and control. Hence, this …
flotation reagents with unique performance for wettability design and control. Hence, this …
Contact angle hysteresis and motion behaviors of a water nano-droplet on suspended graphene under temperature gradient
In the present work, the effect of temperature gradient on the behavior of a water nano-
droplet resting on a suspended graphene was studied based on a non-equilibrium …
droplet resting on a suspended graphene was studied based on a non-equilibrium …
Nanoscale Insights into the Protection of Calcium Silicate Hydrate by Polydimethylsiloxane Coatings in Sulfate Environments: Different Degrees of Polymerization
Calcium silicate hydrate (CSH) plays a crucial role in concrete by controlling its properties
and durability. The degradation of CSH often signifies concrete damage …
and durability. The degradation of CSH often signifies concrete damage …
The impact of the electric field on surface condensation of water vapor: Insight from molecular dynamics simulation
Q Wang, H **e, Z Hu, C Liu - Nanomaterials, 2019 - mdpi.com
In this study, molecular dynamics simulations were carried out to study the coupling effect of
electric field strength and surface wettability on the condensation process of water vapor …
electric field strength and surface wettability on the condensation process of water vapor …