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Length dependence of electronic transport in carbon nanowires |
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| Authors: | S. Jalili A. Pangh |
| Affiliation: | 1. Department of Chemistry, K. N. Toosi University of Technology, P. O. Box: 16315-1618, Tehran, Iran 2. Nanosciences Researches Center, K. N. Toosi University of Technology, Tehran, Iran 3. Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P. O. Box: 19395-5531, Tehran, Iran 4. Department of Chemistry, Tarbiat Modares University, P. O. Box: 14115-175, Tehran, Iran |
| Abstract: | The transport properties of oligo(ethyne) dithiolates coupled with gold electrodes is calculated using the non-equilibrium Green’s functions technique. The effect of molecular wire length on current-voltage characteristics for (-C≡C-)n n = 1–5 is investigated. The calculated decay coefficient at low bias voltage is (0.025 ± 0.002 Å -1) which is found to be lower than that of alkanthiols. Results reveal that the HOMO-LUMO gap of the oligo(ethyne)s are correlated to the reciprocal of the number of triple bonds. |
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