Formation of Atomic Carbon Chains from Graphene Nanoribbons

Abstract

The formation of one-dimensional carbon chains from graphene nanoribbons is investigated using it ab initio molecular dynamics. We show under what conditions it is possible to obtain a linear atomic chain via pulling of the graphene nanoribbons. The presence of dimers composed of two-coordinated carbon atoms at the edge of the ribbons is necessary for the formation of the linear chains, otherwise there is simply the full rupture of the structure. The presence of Stone-Wales defects close to these dimers may lead to the formation of longer chains. The local atomic configuration of the suspended atoms indicates the formation of single and triple bonds, which is a characteristic of polyynes.

4 pages, 5 figures

References in corpus (4)

• The electronic properties of graphene
• From Graphene constrictions to single carbon chains
• Ab-initio electron transport calculations of carbon based string structures
• Effect of electron and hole doping on the structure of C, Si, and S nanowires

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• Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
• Carbon Monosulfide Nanostructures: Chains Arrays, Monolayers, and Thin Films
• An Array of Layers in Silicon Sulfides: Chain-like and Ground State Structures