Graphone (one-side hydrogenated graphene) formation on different substrates
Mesoscale and Nanoscale Physics
2016-06-30 v1
Abstract
In this work we present a fully atomistic reactive (ReaxFF force field) molecular dynamics study of the structural and dynamical aspects of the one-side hydrogenation of graphene membranes, leading to the formation of the so-called graphone structure. We have considered different substrates: graphene, few-layers graphene, graphite and platinum at different temperatures. Our results showed that the hydrogenation rates are very dependent on the substrate and thermal effects. Our results also showed that, similarly to graphane, large hydrogenated domains are unlikely to be formed. These hydrogenation processes occur through the formation of uncorrelated cluster domains.
Keywords
Cite
@article{arxiv.1606.09235,
title = {Graphone (one-side hydrogenated graphene) formation on different substrates},
author = {Cristiano Francisco Woellner and Pedro Alves da Silva Autreto and Douglas S. Galvao},
journal= {arXiv preprint arXiv:1606.09235},
year = {2016}
}