On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field

Phys Chem Chem Phys. 2012 Jul 14;14(26):9439-43. doi: 10.1039/c2cp24015g. Epub 2012 May 31.

Abstract

Herein, we predict that graphene nanoribbons will be nonplanar under the influence of a critical perpendicular field. Our investigation demonstrates that the perpendicular field induces mixing of σ and π orbitals in graphene nanoribbons through the second order Stark effect which eventually modulates the electron-nuclear interaction strongly in favor of a bent structure.