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Structural and mechanical properties of carbon-based foams

Grant number: 16/12340-9
Support type:Scholarships abroad - Research Internship - Post-doctor
Effective date (Start): September 15, 2016
Effective date (End): September 14, 2017
Field of knowledge:Physical Sciences and Mathematics - Physics
Principal Investigator:Douglas Soares Galvão
Grantee:Cristiano Francisco Woellner
Supervisor abroad: Pulickel M. Ajayan
Home Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas, SP, Brazil
Local de pesquisa : Rice University, United States  
Associated to the scholarship:14/24547-1 - Theoretical investigations on growth and fracture mechanisms of graphene-based nanostructures, BP.PD

Abstract

Growth of layered (2D) materials has attracted great attention over the last decade due to their importance either in fundamental science as well as in technological applications. The most well-studied 2D material is graphene, owing to its remarkable and unique electronic, thermal and mechanical properties. Furthermore, as carbon atoms can have three different hybridizations, it is possible to build a large family of graphene allotropes. In order to extend the application of graphene (and its allotropes) in nanotechnology, it is necessary to develop methods to controllably build up 3D architectures exploiting the distinct characteristics of its building blocks. In this project, we intend to carry out extensive reactive molecular dynamics simulations in order to develop and build models able to mimic the structural and mechanical properties of 3D carbon-based foams (i.e. highly porous materials) using graphene, and graphenylene as building blocks. The theoretical results will be compared to the experimental ones from the Nanomaterials Laboratory at Rice University, led by Prof. Pulickel M. Ajayan. The validated models will be helpful in design new architectures of 3D carbon-based foams.

Articles published in Agência FAPESP about the scholarship:
New material could revolutionize solar fuel generation