Camarasa-Gomez, Maria and Hernangomez-Perez, Daniel and Inkpen, Michael S. and Lovat, Giacomo and Fung, E-Dean and Roy, Xavier and Venkataraman, Latha and Evers, Ferdinand (2020) Mechanically Tunable Quantum Interference in Ferrocene-Based Single -Molecule Junctions. NANO LETTERS, 20 (9). pp. 6381-6386. ISSN 1530-6984, 1530-6992
Full text not available from this repository. (Request a copy)Abstract
Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted some interest as functional elements of molecular-scale devices. Here we investigate the impact of the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction conductance. Measurements indicate that the conductance of the ferrocene derivative, which is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue, can be modulated by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects of the Fano type that arise from the hybridization of localized metal-based pi-orbitals and the delocalized ligand-based p-system. By rotation of the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTRON-TRANSPORT; CONDUCTANCE; RESISTANCE; ROTATION; single-molecule junctions; destructive quantum interference; d-pi hybridization; ferrocene |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Ferdinand Evers |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Mar 2021 07:20 |
| Last Modified: | 12 Mar 2021 07:20 |
| URI: | https://pred.uni-regensburg.de/id/eprint/43818 |
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