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On Topological Modeling of 5|7 Structural Defects Drifting in Graphene

  • Ottorino OriEmail author
  • Franco Cataldo
  • Ante Graovac
Chapter
Part of the Carbon Materials: Chemistry and Physics book series (CMCP, volume 5)

Abstract

Rearrangements of the graphene layers under iterated Stone-Wales rotations are studied here from a pure topological point of view. The analysis provides indications about the relative chemical stability of different isomeric distributions of pentagon–heptagon pairs, the 5|7 structural defects, diffusing in the graphene layer. Our computations are performed in the dual topological space, the Wiener index being taken as the topological potential of the system that rules the migration of the defects in the graphenic lattice.

Keywords

Graphene Plane Graphene Layer Radial Diffusion Wiener Index Minimal Vertex 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media B.V. 2011

Authors and Affiliations

  1. 1.Actinium Chemical ResearchRomeItaly
  2. 2.Department of Chemistry, Faculty of ScienceUniversity of SplitSplitCroatia
  3. 3.NMR CenterThe “Ruđer Bošković” InstituteZagrebCroatia
  4. 4.IMC, University of DubrovnikDubrovnikCroatia

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