Structural, mechanical and transport properties of graphene and related structures

• Grant number: 11/13259-7
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: November 01, 2011
• End date: December 31, 2015
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Pedro Alves da Silva Autreto
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID
• Associated scholarship(s): 12/05933-2 - Formation, structural and mechanical properties and transport of h-BN and hybrid structures composed of h-BN and graphene, BE.EP.PD

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)