Structural, electronic and transport properties of graphene and related structures

• Grant number: 11/13285-8
• Support Opportunities: Regular Research Grants
• Start date: October 01, 2011
• End date: March 31, 2014
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Douglas Soares Galvão
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated researchers: Alexandre Fontes da Fonseca ; Liacir dos Santos Lucena ; Sergio Benites Legoas

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 approachwill produce important results that will allow us to better understand many aspects of this important class of nanostructures. (AU)