2022/07/30 by Júnior, M. L. Pereira, Júnior, L. A. Ribeiro, D. S. Galvão +3
Materials Science · #00-XX #Carbon Nanotubes in Composites #FOS: Physical sciences #Graphene research and applications #I.6.0 #J.2.0 #Materials Science (cond-mat.mtrl-sci) #Supercapacitor Materials and Fabrication
paper · pdf · doi:10.48550/arxiv.2208.00200
openalex publication_date 2022/07/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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).