Matches in SemOpenAlex for { <https://semopenalex.org/work/W2094702954> ?p ?o ?g. }
- W2094702954 abstract "We investigate, by means of ab initio calculations, electronic transport in molecular junctions composed of a biphenyl molecule attached to metallic carbon nanotubes. We find that the conductance is proportional to ${text{cos}}^{2}text{ }ensuremath{theta}$, with $ensuremath{theta}$ the angle between phenyl rings, when the Fermi level of the contacts lies within the frontier molecular orbitals energy gap. This result, which agrees with experiments in biphenyl junctions with nonorganic contacts, suggests that the ${text{cos}}^{2}text{ }ensuremath{theta}$ law has a more general applicability, irrespective of the nature of the electrodes. We calculate the geometrical degree of chirality of the junction, which only depends on the atomic positions, and demonstrate that it is not only proportional to ${text{cos}}^{2}text{ }ensuremath{theta}$ but also is strongly correlated with the current through the system. These results indicate that molecular conformation plays the preponderant role in determining transport properties of biphenyl-carbon nanotubes molecular junctions." @default.
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- W2094702954 date "2010-08-02" @default.
- W2094702954 modified "2023-09-26" @default.
- W2094702954 title "Electronic transport in biphenyl single-molecule junctions with carbon nanotubes electrodes: The role of molecular conformation and chirality" @default.
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- W2094702954 doi "https://doi.org/10.1103/physrevb.82.085402" @default.
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