The first-principles study of oscillating rectifying performance in nanoribbon-chain-carbon nanotube junctions

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Original languageEnglish
Article number203106
Journal / PublicationApplied Physics Letters
Issue number20
Publication statusPublished - 20 May 2013



Electronic transport properties of armchair graphene nanoribbon and capped carbon nanotube junctions, covalently bridged by carbon atomic chains with different numbers of carbon atoms, are investigated. The first-principles calculations based on non-equilibrium Green's functions with the density-functional theory show that their I-V characteristics display odd-even effects and rectifying behaviors show obvious oscillations, namely, different bond patterns for even- and odd-numbered carbon chains affect the contact bonds, charge transfer, density of states, evolutions of molecular orbitals, and rectifying performance. © 2013 AIP Publishing LLC.

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