Dynamical Formation of Graphene and Graphane Nanoscrolls
Materials Science
2022-08-02 v1
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 configurations (1) and (2) for temperatures 300-1000 K, while nanoribbons wrap CNT without nanoscroll formation for configuration (3).
Cite
@article{arxiv.2208.00200,
title = {Dynamical Formation of Graphene and Graphane Nanoscrolls},
author = {M. L. Pereira Júnior and L. A. Ribeiro Júnior and D. S. Galvão and J. M. De Sousa},
journal= {arXiv preprint arXiv:2208.00200},
year = {2022}
}
Comments
9. arXiv admin note: substantial text overlap with arXiv:2105.01756