Dynamical Formation of Graphene and Graphane Nanoscrolls

Autor:	Júnior, M. L. Pereira, Júnior, L. A. Ribeiro, Galvão, D. S., De Sousa, J. M.
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science 00-XX J.2.0 I.6.0
Druh dokumentu:	Working Paper
Popis:	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). Comment: 9. arXiv admin note: substantial text overlap with arXiv:2105.01756
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2208.00200 Zobrazit plný text záznamu View this record from Arxiv