Carbide-derived carbons for dense and tunable 3D graphene networks

Abstract

The mechanical properties of carbide-derived carbons (CDCs) are computed using molecular dynamics simulations, spanning the experimental density range and synthesis temperatures. The structures consist of nanoporous networks with continuous graphene walls enclosing the pores. Calculation of elastic constants and simulation of tensile strain reveal a direct relationship between the microstructure and elasticity, with the density and temperature inducing significant changes in the pore topology and medium-range order. CDCs have a high elastic moduli and high ultimate tensile strengths while showing resistance to brittle fracture. This suggests that CDCs are a promising route to achieve dense 3D graphene networks with tunable mechanical properties.