Strain-induced modulation of mechanical properties and electronic structure of edge-modification graphene nanoribbons

摘要

The mechanical properties and electronic structure of graphene nanoribbons(GNRs) which modified atoms or molecular groups on the zigzag edges can be tuned under the uniaxial tensile strain for application on the electronic devices. We study the elastic and plastic deformation of GNRs. The modified zigzag edges play a key role in tense force, elastic constant, critical point (the critical point of elastic and plastic deformation) and the energy gaps. In particular, it is shown that the energy gap of edge-modification GNRs can be strongly modified under uniaxial tensile strain. This way, offer new opportunities to electronic transport and force-electronic devices for next-generation electronics.