Novel Nanoscroll Structures from Carbon Nitride Layers

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.