Formation of Atomic Carbon Chains from Graphene Nanoribbons

ORAL

Abstract

The formation of one-dimensional carbon chains from graphene nanoribbons is investigated using spin-polarized ab initio 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. For a situation where a linear carbon chain is formed, when a force of 8 nN is reached there is a rupture of the chain.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.

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Authors

  • Renato Pontes

    Universidade de S\~ao Paulo

  • Edwin Hobi Jr.

    Universidade de S\~ao Paulo

  • Adalberto Fazzio

    University of S\~ao Paulo, Instituto de F\'isica, Universidade de S\~ao Paulo, Universidade de S\~ao Paulo, University of Sao Paulo, Brazil

  • Ant\^onio J.R. da Silva

    University of S\~ao Paulo, Instituto de F\'isica, Universidade de S\~ao Paulo, Universidade de S\~ao Paulo