Novel Nanoscroll Structures from Carbon Nitride Layers

TL;DR

This study uses atomistic simulations to explore the formation of stable nanoscrolls from various carbon nitride layers, highlighting their potential for diverse applications due to their tunable properties.

Contribution

It demonstrates the feasibility of forming stable nanoscrolls from different carbon nitride structures through molecular dynamics simulations.

Findings

Stable nanoscrolls can be formed from all investigated CN structures.

Possible synthetic routes for these nanoscrolls are proposed.

Nanoscrolls exhibit tunable diameters and large surface areas.

Abstract

Nanoscrolls (papyrus-like nanostructures) are very attractive structures for a variety of applications, due to their tunable diameter values and large accessible surface area. They have been successfully synthesized from different materials. In this work we have investigated, through fully atomistic molecular dynamics simulations, the dynamics of scroll formation for a series of graphenelike carbon nitride (CN) twodimensional systems: gCN, triazinebased gC3N4, and heptazinebased gC3N4. Our results show that stable nanoscrolls can be formed for all of these structures. Possible synthetic routes to produce these nanostructures are also addressed.