Atomic Structure and Mechanical Properties of Twisted Bilayer Graphene

Abstract

We studied the atomic structure and mechanical properties of twisted bilayer graphene with a different twist angle using molecular dynamic simulations. The two layers are corrugated after energy minimization. We found two different modes of corrugation. The mechanical properties are tested both in-plane and perpendicular to the plane. The in-plane properties are dominated by the orientation of graphene. The perpendicular properties depend on the twist angle, as the larger the twist angle, the higher the intrinsic strength.