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Structural, mechanical and transport properties of graphene and related structures

Grant number: 11/13259-7
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): November 01, 2011
Effective date (End): 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)

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