Structural and mechanical properties of 3D carbon-based sponges build up from 2D precursor structures

• Grant number: 14/12057-0
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
• Start date: October 02, 2014
• End date: October 01, 2015
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Gustavo Brunetto
• Supervisor: Pulickel M. Ajayan
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: Rice University, United States
• Associated to the scholarship: 13/25979-0 - Structural, mechanical and transport properties of Graphyne-Based nanostructures, BP.PD

Abstract

Syntheses of 2D structures are of great importance for fundamental science and technological applications. One of the most important 2D material is graphene, due to its remarkable and unique mechanical and electronic properties. However, as carbon atoms can have three different hybridizations, it is possible to build a large family of carbon 2D allotropes. One of the bottlenecks of the nanotechnology nowadays is the lack of ability to controllably build up 3D materials shaping some characteristics from its precursors with low dimensionality (1D and 2D). In this project we intend to develop and build models able to reliably describe the structural and mechanical properties of 3D carbon-based sponges (graphene- and graphyne-based). When possible the proposed models will be tested against the experimental results from the Nanomaterials Laboratory at Rice University, led by Prof. Pulickel M. Ajayan. Different approaches will be used to simulate the models, from fully atomistic to coarse-grain molecular dynamics. (AU)