title: Mechanical properties of graphene nanoribbons.
abstract: Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress 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 nonlinear dependence is found for higher strain. The most relevant results indicate that Young's modulus 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 elastic regime, suggesting the potential for using carbon nanostructures in nano-electronic devices in the near future.
authors.affiliation: Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Química, Universidad de la República, Avenida General Flores 2124, PO Box 1157, Montevideo, Uruguay. Centro NanoMat, Polo Tecnológico de Pando, Facultad de Química, Universidad de la República, Camino Aparicio Saravia s/n, 91000, Pando, Canelones, Uruguay.
authors.forename: Ricardo
authors.initials: R
authors.lastname: Faccio
authors.forename: Pablo A
authors.initials: PA
authors.lastname: Denis
authors.forename: Helena
authors.initials: H
authors.lastname: Pardo
authors.forename: Cecilia
authors.initials: C
authors.lastname: Goyenola
authors.forename: Alvaro W
authors.initials: AW
authors.lastname: Mombrú