Variational model for a rippled graphene sheet

RSC Adv. 2020 Apr 22;10(27):16016-16026. doi: 10.1039/c9ra10439a. eCollection 2020 Apr 21.

Abstract

The calculus of variations is utilised to study the behaviour of a rippled graphene sheet supported on a metal substrate. We propose a model that is underpinned by two key parameters, the bending rigidity of graphene γ, and the van der Waals interaction strength ξ. Three cases are considered, each of which addresses a specific configuration of a rippled graphene sheet located on a flat substrate. The transitional case assumes that both the graphene sheet length and substrate length are constrained. The substrate constrained case assumes only the substrate has a constrained length. Finally, the graphene constrained case assumes only the length of the graphene sheet is constrained. Numerical results are presented for each case, and the interpretation of these results demonstrates a continuous relationship between the total energy per unit length and the substrate length, that incorporates all three configurations. The present model is in excellent agreement with earlier results of molecular dynamics (MD) simulations in predicting the profiles of graphene ripples.