Intrinsic edge warping of graphene nanoribbon boost molecular directional motion: Toward the novel nanodevices

Highlights: • Nanodirectional motion induced by intrinsic edge warping of graphene nanoribbon is for the first time proposed. • Theoretical and computational models of nanodirectional motion are established, respectively. • Nanodirectional motion is curvature-oriented and nonlinear. • Nanodirectional motion with +z-warping configuration is energetically favorable over the −z-warping configuration. • Knowledge of intrinsic edge with Gaussian curvature can serve as a promising building block for constructing the novel nanodirectional motion actuator. -- Abstract: In this letter, nanodirectional motion due to intrinsic warping edge of graphene nanoribbon is demonstrated using theoretical analysis and molecular dynamics (MD) simulation. Simulation model is established and the underlying physical insights of intrinsic nanodirectional motion are investigated. It is found that nanodirectional motion of carbon fullerene is gradient-dependent. Directional motion with +z-warping graphene edge is energetically favorable over the −z-warping configuration. As a result, a novel nanodirectional motion actuator inspired by intrinsic edge warping with Gaussian curvature can be designed. The obtained results in current research are fundamental and general, similar intrinsic properties and design paradigms can be applied to other 2D materials beyond graphene.