4.2 Article

Isomeric Formation of 5|8|5 Defects in Graphenic Systems

Journal

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
Volume 22, Issue 10, Pages 887-900

Publisher

TAYLOR & FRANCIS INC
DOI: 10.1080/1536383X.2012.749454

Keywords

Stone-Wales waves; Stone-Wales defects; 5|8|5 defects; topological potentials; graphene

Funding

  1. CNCS-UEFISCDI [TE16/2010-2013]

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An innovative mechanism leading to the formation of 5|8|5 defects in graphenic systems is presented. These twofold-symmetrical defects, made by an octagon and two opposing pentagonal rings, emerge from sequences of Stone-Wales rotations, the so-called Stone-Wales waves recently introduced to induce isomeric modifications of the graphene plane, excluding the divacancy mechanism normally used in literature. This topological generation of 5|8|5 defects preserves the number of atoms and bonds of the system and may help researchers in modeling defective graphene, a material with unique magnetic and electronic properties. Isomeric configurations are ranked by means of the topological potentials.

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