Limits of stability in supported graphene nanoribbons subject to bending

TL;DR

This study uses molecular dynamics simulations to determine the stability limits of supported graphene nanoribbons under bending, revealing that maximum stable curvatures are below ~10 deg/nm and depend on ribbon width and bending conditions.

Contribution

It provides the first detailed quantification of bending stability limits for supported graphene nanoribbons, combining simulations with elasticity models.

Findings

Maximum stable curvature is below ~10 deg/nm for forced bending.

Stability limits decrease rapidly with increasing ribbon width.

Results align with recent experimental observations.

Abstract

Graphene nanoribbons are prone to in-plane bending even when supported on flat substrates. However, the amount of bending that ribbons can stably withstand remains poorly known. Here, by using molecular dynamics simulations, we study the stability limits of 0.5-1.9 nm wide armchair and zigzag graphene nanoribbons subject to bending. We observe that the limits for maximum stable curvatures are below ~10 deg/nm, in case the bending is externally forced and the limit is caused by buckling instability. Furthermore, it turns out that the limits for maximum stable curvatures are also below ~10 deg/nm, in case the bending is not forced and the limit arises only from the corrugated potential energy landscape due to the substrate. Both of the stability limits lower rapidly when ribbons widen. These results agree with recent experiments and can be understood by means of transparent elasticity models.