Oscillatory motion in layered materials: graphene, boron nitride, and molybdenum disulfide

Offset-driven self-retraction and oscillatory motion of bilayer graphene has been observed experimentally and is potentially relevant for nanoscale technological applications. In a previous article, we showed that friction between laterally offset graphene layers is controlled by roughness and proposed a simple reduced-order model based on density-functional theory (DFT) and molecular dynamics (MD) data, with which predictions on the experimental size-scale could be made. In this article, we extend our study to other layered materials, with emphasis on boron nitride (BN) and molybdenum disulfide (MoS 2 ). Using MD and DFT simulations of these systems and a generalized version of the reduced-order model, we predict that BN will exhibit behavior similar to graphene (heavily-damped oscillation with a decay rate that increases with roughness) and that MoS 2 shows no oscillatory behavior even in the absence of roughness. This is attributed to the higher energy barri...

Zhijiang Ye, Alberto Otero-de-la-Roza, Erin R Johnson and Ashlie Martini

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