Structural, mechanical and transport properties of Graphyne-Based nanostructures

• Grant number: 13/25979-0
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: March 01, 2014
• End date: January 31, 2016
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Gustavo Brunetto
• 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): 14/12057-0 - Structural and mechanical properties of 3D carbon-based sponges build up from 2D precursor structures, BE.EP.PD

Abstract

Graphynes are carbon allotrope two-dimensional structures closed related to graphene. In contrast to graphene, the benzenoids groups are connected by aceteleynic groups, allowing the co-existence of sp and sp2 carbons. In this project we will investigate the structural, mechanical and transport properties of graphyne-based nanostructures. We will used ab initio and classical and reactive molecular dynamics simulations. (AU)