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- W1965624021 abstract "We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the order of the conductance quantum unit $G_0$, spelling out that they belong to the transparent regime. We further find that the transmission coefficients show wide plateaus as a function of the energy, instead of the usual sharp resonances that signal the molecular levels in the tunneling regime. We use Caroli's model to show that this is a rather generic property of the transparent regime of a junction, which is driven by a strong effective coupling between the delocalized molecular levels and the conduction channels at the electrodes. We analyse the transmission coefficients and chemical bonding of gold/Benzene and gold/Benzene-dithiolate (BDT) junctions to understand why the later show large resistances, while the former are highly conductive." @default.
- W1965624021 created "2016-06-24" @default.
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- W1965624021 date "2009-08-24" @default.
- W1965624021 modified "2023-09-28" @default.
- W1965624021 title "Tuning the conductance of molecular junctions: Transparent versus tunneling regimes" @default.
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- W1965624021 doi "https://doi.org/10.1103/physrevb.80.085426" @default.
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