Adak, Olgun and Korytar, Richard and Joe, Andrew Y. and Evers, Ferdinand and Venkataraman, Latha (2015) Impact of Electrode Density of States on Transport through Pyridine-Linked Single Molecule Junctions. NANO LETTERS, 15 (6). pp. 3716-3722. ISSN 1530-6984, 1530-6992
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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 with Ag-based junctions. We attribute this difference to relativistic effects, which result in an enhanced density of d-states at the Fermi energy for Au compared with Ag. We further show that the alignment of the conducting orbital relative to the Fermi level does not follow the work function difference between two metals and is different for conjugated and saturated systems. We thus demonstrate that the details of the molecular level alignment and electronic coupling in metal-organic interfaces do not follow simple rules but are rather the consequence of subtle local interactions.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ENERGY-LEVEL ALIGNMENT; METAL WORK FUNCTION; CHARGE-TRANSPORT; CONDUCTANCE; CONTACTS; PHOTOEMISSION; INTERFACES; AU; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Ferdinand Evers |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 15 Jul 2019 06:26 |
| Last Modified: | 15 Jul 2019 06:26 |
| URI: | https://pred.uni-regensburg.de/id/eprint/5406 |
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