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Issue 30, 2012
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Transport properties of armchair graphene nanoribbon junctions between graphene electrodes

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Abstract

The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of the nanoribbon has been studied. Two regimes are highlighted: for a small applied bias transport takes place via tunneling and the length of the ribbon is the key parameter that determines the junction conductance; at a higher applied bias resonant transport through the HOMO and LUMO starts to play a more determinant role, and the transport properties depend on the details of the geometry (width and length) of the carbon nanoribbon. In the case of the thinnest ribbon it has been verified that a tilted geometry of the central phenyl ring is the most stable configuration. As a consequence of this rotation the conductance decreases due to the misalignment of the π orbitals between the phenyl ring and the remaining part of the junction. All the computed transmission functions have shown a negligible dependence on different saturations and reconstructions of the edges of the graphene leads, suggesting a general validity of the reported results.

Graphical abstract: Transport properties of armchair graphene nanoribbon junctions between graphene electrodes

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Publication details

The article was received on 05 Mar 2012, accepted on 11 Jun 2012 and first published on 13 Jun 2012


Article type: Paper
DOI: 10.1039/C2CP40702G
Citation: Phys. Chem. Chem. Phys., 2012,14, 10683-10689
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    Transport properties of armchair graphene nanoribbon junctions between graphene electrodes

    C. Motta, D. Sánchez-Portal and M. I. Trioni, Phys. Chem. Chem. Phys., 2012, 14, 10683
    DOI: 10.1039/C2CP40702G

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