Abstract

Four fundamental dimer manipulations can be used to produce a variety of localized and extended defect structures in graphene. Two-dimensional templates result in graphene allotropes, here viewed as extended defects, which can exhibit either metallic or semiconducting electrical character. Embedded allotropic ribbons—i.e. thin swaths of the new allotropes—can also be created within graphene. We examined these ribbons and found that they maintain the electrical character of their parent allotrope even when only a few atoms in width. Such extended defects may facilitate the construction of single atomic layer carbon circuitry.

Highlights

  • The presence of defects in condensed matter has a dramatic influence on electrical character

  • These orbitals are constructed using a Γ-point (k = 0) spatial frequency, i.e., by setting the Bloch function wave number to zero and relying on linear combinations of atomic orbitals to describe the electronic structure. These band edge states are both localized along the ribbon, and the ribbon itself endows the composite with a high Density of States (DOS) at the Fermi level, similar to vacancy localization effects found in bilayer graphene[50]

  • An algebraic framework has been identified for the modification of lattices and is based on four basic actions which can be performed with a carbon dimer: bond rotation (STW defect); dimer addition (ISTW defect); dimer removal; and no action

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Summary

Introduction

The presence of defects in condensed matter has a dramatic influence on electrical character. Even when distinct from the actual synthesis routes, the analytical fabrication of structures as a sequence of dimer additions, subtractions, rotations and preservations lends a new type of insight into form and function All elements of this defect alphabet have been experimentally observed [18, 19, 20, 21]. Two adjacent STW defects create an octagon surrounded by alternating pentagons and heptagons, and two ISTW defects create on octagon between them with a new arrangement of pentagons and heptagons, Fig. 3(d) [15] This variety of octagonal defect combinations have recently resulted in the prediction of a number of new graphene allotropes [31, 32].

Methodology and the Formation Energies of the Fundamental Defect Structures
Graphene Allotropes from Templated Defects
Embedded Ribbons of Graphene Allotropes
Conclusions
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