Density dependence of elastic properties of graphynes

Author(s)

Kanegae, Guilherme B. B. ; Fonseca, Alexandre F. F.

• Document type: Journal article
• Source: RS ADVANCE; v. 8, n. 7, p. 6-pg., 2023-03-01.

Abstract

Graphyne is a two-dimensional carbon allotrope of graphene. Its structure is composed of aromatic rings and/or carbon-carbon bonds connected by one or more acetylene chains. As some graphynes present the most of the excellent properties of graphene and non-null bandgap, they have been extensively studied. Recently, Kanegae and Fonseca reported calculations of four elastic properties of 70 graphynes, ten members of the seven families of graphynes. They showed that the acetylene chain length dependence of these properties can be simply modelled by a serial association of springs. Here, based on those results, we present the density dependence of these properties and show that the elastic moduli, E, of graphyne are less dependent on density, rho, than porous cellular materials with an exponent of E similar to rho(n), smaller than 2. We discuss the results in terms of the shape of the pores of the graphyne structures. (AU)

• FAPESP's process: 20/02044-9 - Modeling and simulation of physical properties of materials
• Grantee: Alexandre Fontes da Fonseca
• Support Opportunities: Regular Research Grants