Deformation of graphene induced by adsorption of peptides: a molecular dynamics study

Yuan Cheng, Zuoqi Zhang, Zhishiun Teo

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Graphene has potential applications in a variety of fields including electronics, photonics and chemical-biosensing. In this study, we perform molecular dynamics (MD) simulations to study the interactions between graphene sheets and biomolecules. The bending behavior of graphene induced by adsorption of peptides is investigated. The influence of peptide size, number, and alignment on the deflection of graphene sheets is studied in detail. The van der Waals (VDW) interaction plays a dominant role in the interaction between peptides and graphene. Our study provides valuable information for the experimental design of nanodevices incorporating graphene with biomolecules.

Original languageEnglish
Article number1350007
JournalInternational Journal of Applied Mechanics
Issue number1
Publication statusPublished - Mar 2013
Externally publishedYes


  • Graphene
  • molecular dynamics
  • peptide

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