Abstract
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.
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