Interlayer energy-optimum stacking registry for two curved graphene sheets of nanometer dimensions

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Abstract

The interlayer energy between two circular graphene sheets of nanometer scale, which is curved into cylindrical shape with different curvature radius, is investigated by a molecular force field based on a registry-dependent interlayer interaction potential. It is found that there is a special interlayer stacking angle near which the interlayer energy is significantly lower. This interlayer energy-minimum stacking registry angle shifts away from the original Bernal (AB) stacking orientation when the curvature radius of curved graphene sheets is less than 20 nm, and increases with decreasing curvature radius beyond this point. The stability of interlayer energy-minimum stacking of the curved graphene sheets decreases with decreasing curvature radius.

Original languageEnglish
Pages (from-to)813-819
Number of pages7
JournalMolecular Simulation
Volume34
Issue number8
DOIs
StatePublished - Jul 2008
Externally publishedYes

Keywords

  • Curved graphene
  • Energy-optimum
  • Interlayer stacking registry
  • Molecular force field
  • Static calculation

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