Structural, mechanical and transport properties of graphene and related structures

Abstract

We will investigate the structural, mechanical and conductance properties of graphene and related structures. We will consider hydrogenated (graphanes and graphones) and fluorinated (flurographenes and fluorographanes) membranes. The graphene oxide will also be considered. We will use a multiscale approach using semi-empirical, ab initio, molecular dynamics with reactive force fields and finite elements methods. We believe that this approach will produce important results that will allow us to better understand many aspects of this important class of nanostructures. (AU)