Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation.

ABSTRACT: Silicon doping is an effective way to modulate the bandgap of graphene that might open the door for graphene to the semiconductor industries. However, the mechanical properties of silicon doped graphene (SiG) also plays an important role to realize its full potential application in the electronics industry. Electronic and optical properties of silicon doped graphene are well studied, but, our understanding of mechanical and fracture properties of the doped structure is still in its infancy. In this study, molecular dynamics (MD) simulations are conducted to investigate the tensile properties of SiG by varying the concentration of silicon. It is found that as the concentration of silicon increases, both fracture stress and strain of graphene reduces substantially. Our MD results also sugges

SUBMITTER: Rahman MH 

PROVIDER: S-EPMC9056426 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature