“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 11752 |
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The transport properties of oligo(ethyne) dithiolates coupled with gold electrodes is calculated using the non-equilibrium Greenâs functions technique. The effect of molecular wire length on current-voltage characteristics for (-Câ¡C-)n n = 1-5 is investigated. The calculated decay coefficient at low bias voltage is (0.025 ± 0.002 A°-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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