Influence of silicon doping on mechanical properties of graphene sheets under tension

Using Tersoff potential, the stretch process of silicon doped graphene sheets were simulated via molecular dynamics simulation. The influence of silicon doping on the tensile properties of graphene sheets were analyzed by changing the silicon doping ratios of the armchair and zigzag graphene sheets respectively, and the corresponding stress-strain relationships and tensile failure modes were obtained. The results indicate that silicon substitution in graphene has an obvious effect on its Youngs modulus, and that the ultimate tensile strain and tensile strength of grapheme sheets were significantly reduced due to the increase in silicon substitution ratios respectively.