Novel Nanoscroll Structures from Carbon Nitride Layers

Novel nanoscroll structures from carbon nitride layers.

Nanoscrolls (papyrus-like nanostructures) are very attractive structures for a variety of applications, owing to their tunable diameter and large accessible surface area. They have been successfully synthesized from different materials. In this work, we investigate, through fully atomistic molecular dynamics simulations, the dynamics of scroll formation for a series of graphene-like carbon nitr...

Naphthalene Removal From Water by Novel Mesoporous Carbon Nitride Adsorbent

Polycyclic aromatics hydrocarbons are chemical species with two to six fused benzene rings and are well-known toxic hazardous pollutants and highly potent carcinogens that can cause tumors in some organisms.1 In recent years, naphthalene contamination in water systems has drawn increasing attention. Naphthalene originates from natural and anthropogenic sources. Anthropogenic sources include eng...

A Shell Model for Free Vibration Analysis of Carbon Nanoscroll

Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions ...

Carbon nanoscroll from C4H/C4F-type graphene superlattice: MD and MM simulation insights.

Morphology manipulation opens up a new avenue for controlling and tailoring the functional properties of graphene, enabling the exploration of graphene-based nanomaterials. Through mixing single-side-hydrogenated graphene (C4H) with fluorinated graphene (C4F) on one single sheet, the C4H/C4F-type graphene superlattices can self-scroll at room temperature. We demonstrate using molecular dynamic ...

Graphene and Boron Nitride Single Layers