Theoretical Investigations on Growth and Fracture Mechanisms of Graphene-based Nanostructures

• Grant number: 13/23804-8
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Effective date (Start): March 01, 2014
• Effective date (End): October 31, 2014
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Eric Perim Martins
• 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

Abstract

In this project we intend to investigate the structural and mechanical properties of graphene-based nanostructures with negative curvatures (Schwarzites). We will also investigate the origin of the asymetric cuts produced by metalic nanoparticles on graphene membranes and on the growth mechanisms of graphene in the presence of oxygen atoms from chemical vapor deposition experiments.In order to carry out these studies we will ab initio and molecular dynamics simulations with classical and reactive potentials.