Mechanical Properties and Buckling of Kagome Graphene under Tension: A Molecular Dynamics Study

Abstract

Kagome graphene is a carbon allotrope similar to graphene, with a single-atom thickness and a co-planar atomic structure. Despite interesting electronic properties, its mechanical behavior is still elusive. We have investigated the tensile properties of Kagome graphene under various strain rates and finite temperatures using molecular dynamics simulations. The Young’s modulus, ultimate tensile strength, fracture strain, and fracture toughness of the unsupported bulk material were measured as 96 GPa, 43 GPa, 0.05, and 1.9 J m−3, respectively, at room temperature and a strain rate of 109 s−1. Two deformation-stages were observed under tensile loading: normal and wrinkled. Initially, the Kagome graphene system stays in a co-planar structure without wrinkling until the tensile strain reaches 0.04, where it starts to wrinkle, unlike graphene. The wrinkle wavelength and magnitude suggest a very low bending rigidity, and wrinkle formation does not follow a rate predicted by continuum mechanics. Furthermore, the fracture mechanism of wrinkled Kagome graphene is briefly discussed.

Carbon Kagome nanotubes—quasi-one-dimensional nanostructures with flat bands

“…We then "roll up" this 2D material along different directions to obtain Carbon Kagome Nanotubes (CKNTs). Kagome graphene and related bulk structures have recently received much attention in the materials literature, 36,[38][39][40][41]85,86 and also in the physics literature, where the material is oen identied as a "decorated honeycomb" or "star lattice" structure. 23,[87][88][89][90][91][92] Although Kagome graphene remains to be experimentally synthesized, successful synthesis of a variant of this material, i.e., nitrogen-doped graphene on a silver substrate-a 2D material with a Kagome pattern, has been carried out recently.…”