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Novel Nanoscroll Structures from Carbon Nitride Layers

Published online by Cambridge University Press:  14 May 2015

Eric Perim  and
Douglas S. Galvao
Eric Perim
Affiliation:
Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas, 13083-970, Campinas, São Paulo, Brazil.
Douglas S. Galvao
Affiliation:
Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas, 13083-970, Campinas, São Paulo, Brazil.
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Abstract

Nanoscrolls consist of sheets rolled up into a papyrus-like form. Their open ends produce great radial flexibility, which can be exploited for a large variety of applications, from actuators to hydrogen storage. They have been successfully synthesized from different materials, including carbon and boron nitride. In this work we have investigated, through fully atomistic molecular dynamics simulations, the dynamics of scroll formation for a series of graphene-like carbon nitride (CN) two-dimensional systems: g-CN, triazine-based (g-C3N4), and heptazine-based (g-C3N4). Carbon nitride (CN) structures have been attracting great attention since their prediction as super hard materials. Recently, graphene-like carbon nitride (g-CN) structures have been synthesized with distinct stoichiometry and morphologies. By combining these unique CN characteristics with the structural properties inherent to nanoscrolls new nanostructures with very attractive mechanical and electronic properties could be formed. Our results show that stable nanoscrolls can be formed for all of CN structures we have investigated here. As the CN sheets have been already synthesized, these new scrolled structures are perfectly feasible and within our present-day technology.

Keywords

elastic propertiesnanostructuresimulation
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1726: Symposium J – Emerging Non-Graphene 2D Atomic Layers and van der Waals Solids , 2015 , mrsf14-1726-j05-02
Copyright
Copyright © Materials Research Society 2015 

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References

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