Mechanical properties of graphene nanoribbons

Abstract

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphenenanoribbons in the presence of stress by applying density functional theory within the GGA-PBE(generalized gradient approximation-Perdew–Burke–Ernzerhof) approximation. The uniaxialstress is applied along the periodic direction, allowing a unitary deformation in the range of ± 0.02%. The mechanical properties show a linear response within that range while a nonlineardependence is found for higher strain. The most relevant results indicate that Young’smodulus is considerable higher than those determined for graphene and carbon nanotubes.The geometrical reconstruction of the C–C bonds at the edges hardens the nanostructure.The features of the electronic structure are not sensitive to strain in this linear elasticregime, suggesting the potential for using carbon nanostructures in nano-electronic devicesin the near future.