Effect of doping on vibration frequency of graphene nanoribbons

Abstract

Graphene has excellent mechanical properties and vibration frequency is an important mechanical property. In this paper, the effects of doping elements and doping concentrations on the vibration characteristics of graphene nanoribbons were investigated by molecular dynamics simulation. The vibration characteristics are influenced by the doping element, depending on the bond structural difference in bond structure between doping atoms and carbon atoms. The vibration frequencies of Nitrogen (N)-doped and Nitrogen–Nitrogen (N–N)-doped graphene nanoribbons are slightly lower than those of pure graphene nanoribbons. However, the vibration frequencies of Sulfur (S)/Phosphorus (P)-doped and Sulfur–Sulfur (S–S)/Phosphorus–Phosphorus (P–P)-doped graphene nanoribbons are significantly lower than those of pure graphene nanoribbons. In addition, with the increase of S (P) doping concentration, the vibration frequency of monolayer graphene nanoribbons decreases gradually.