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Type: Artigo
Title: Novel nanoscroll structures from carbon nitride layers
Author: Perim, E.
Galvao, D. S.
Abstract: 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 nitride (CN) two-dimensional systems: gCN, triazine-based g-C3N4, and heptazine-based g-C3N4. Our results show that stable nanoscrolls can be formed for each of these structures. Possible synthetic routes to produce these nanostructures are also addressed.
Subject: Grafeno
Dinâmica molecular
Molecular dynamics
Country: Alemanha
Editor: Wiley-VCH Verlag
Rights: fechado
Identifier DOI: 10.1002/cphc.201402059
Date Issue: 2014
Appears in Collections:IFGW - Artigos e Outros Documentos

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