Dynamical Formation of Graphene and Graphane Nanoscrolls
Materials Science
2021-09-23 v2 Mesoscale and Nanoscale Physics
Abstract
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a carbon nanotube (CNT) have been studied by molecular dynamics simulations for three configurations: (1) graphene/graphene/CNT; (2) graphene/graphane/CNT, and (3) graphane/graphane/CNT. Graphane refers to a fully hydrogenated graphene nanoribbon. Nanoscroll formation is observed for configuration (1) and (2) for temperatures 300-1000 and 300-600 K, respectively, while nanoribbons wrap CNT without nanoscroll formation for configuration (3).
Cite
@article{arxiv.2105.01756,
title = {Dynamical Formation of Graphene and Graphane Nanoscrolls},
author = {Marcelo Lopes Pereira Júnior and Luiz Antonio Ribeiro Júnior and Douglas Soares Galvão and José Moreira de Sousa},
journal= {arXiv preprint arXiv:2105.01756},
year = {2021}
}
Comments
11 pages and 4 figures