Dynamical Formation of Graphene and Graphane Nanoscrolls

作     者：Pereira, M.L. Ribeiro, L.A. Galvão, D.S. De Sousa, Jose Moreira 

作者机构：Department of Electrical Engineering Faculty of Technology University of Brasília Brasília70910-900 Brazil Institute of Physics University of Brasília Brasília70910-900 Brazil Applied Physics Department University of Campinas Campinas São Paulo Brazil Center for Computing in Engineering and Sciences University of Campinas Campinas São Paulo Brazil Instituto Federal de Educação Ciência e Tecnologia do Piauí - IFPI Primavera Piauí São Raimundo Nonato64770-000 Brazil 

出 版 物：《arXiv》 (arXiv)

年 卷 期：2022年

核心收录：

主　　题：Carbon nanotubes 

摘      要：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).MSC Codes 00-XX Copyright © 2022, The Authors. All rights reserved.