Anisotropic and Temperature-Dependent Mechanical Properties of TPDH-Graphene

TPDH-graphene is a newly predicted two-dimensional carbon material with exceptional physical properties, positioning it as a promising candidate for nanoelectronics applications. Using classical molecular dynamics simulations, we investigated the anisotropic properties of the material and assessed how temperature influences its mechanical behavior. The results demonstrate that TPDH-graphene shows significant mechanical anisotropy, displaying superior tensile toughness and fracture strength along the zigzag direction in comparison to the armchair direction. At high temperatures up to 1200 K, the material exhibits a certain degree of tensile toughness in the armchair direction.