2015
DOI: 10.1021/acs.nanolett.5b01195
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Impact of Electrode Density of States on Transport through Pyridine-Linked Single Molecule Junctions

Abstract: We study the impact of electrode band structure on transport through single--molecule junctions by measuring the conductance of pyridine--based molecules using Ag and Au electrodes. Our experiments are carried out using the scanning tunneling microscope based break--junction technique and are supported by density functional theory based calculations. We find from both experiments and calculations that the coupling of the dominant transport orbital to the metal is stronger for Au--based junctions when compared … Show more

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Cited by 70 publications
(106 citation statements)
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“…Therefore, a transition between different molecular conformations can be probed with greater control than in the traditional STM-BJ, which uses a constant tip withdrawal rate. 11 Application of such procedures can provide more information about the molecular junction than that in a constant bias junction. 6 In a related set of STM-BJ modifications, modulation of the bias voltage within the STM-BJ is accomplished, and it is performed by sweeping the bias voltage while the position of the STM tip is stopped during the withdrawal in STM-BJ.…”
Section: Introductionmentioning
confidence: 99%
“…Therefore, a transition between different molecular conformations can be probed with greater control than in the traditional STM-BJ, which uses a constant tip withdrawal rate. 11 Application of such procedures can provide more information about the molecular junction than that in a constant bias junction. 6 In a related set of STM-BJ modifications, modulation of the bias voltage within the STM-BJ is accomplished, and it is performed by sweeping the bias voltage while the position of the STM tip is stopped during the withdrawal in STM-BJ.…”
Section: Introductionmentioning
confidence: 99%
“…We used a recently developed a.c. technique 25 , described briefly in the Methods and in Supplementary Section II, to determine the location of the conducting orbital (ε) and its coupling (Γ) to the Au electrodes for TDO4 in PC and TCB. The values obtained were then checked against zero-bias self-energy corrected density functional theory (DFT + Σ) calculations 23,26 .…”
mentioning
confidence: 99%
“…3,4 For many systems investigated thus far, charge transport occurs via coherent tunneling and therefore, can be described by a transmission function detailing the energy-dependent probability that an incident electron or hole tunnels through the barrier presented by the junction. 5 Several techniques have emerged to experimentally assess energy-level alignment at the metal−molecule interface in single-molecule junctions, including thermopower measurements, 6−8 alternating current (AC) techniques, 9 mapping of current−voltage curves, 10 and gating. 11 However, these methods have been unable to provide a detailed map of the transmission landscape and have instead only provided limited insight into the transmission function.…”
mentioning
confidence: 99%