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Tolerance to Stretching in Thiol-Terminated Single-Molecule Junctions Characterized by Surface-Enhanced Raman
S Kobayashi1, S Kaneko1,2, M Kiguchi1
1Department of Chemistry, School of Science, Tokyo Institute of Technology, 2-12-1 W4-10 Ookayama, Meguro-ku, Tokyo 152-8551, Japan.
The Journal of Physical Chemistry Letters
|July 4, 2020
Summary
This study reveals how stretching affects molecular junctions. Thiol-terminated molecular junctions show greater stability due to their contact geometry, influencing metal-molecule interactions.
Area of Science:
- Molecular electronics
- Surface science
- Spectroscopy
Background:
- Single-molecule junctions are crucial for nanoscale electronic devices.
- Understanding metal-molecule interactions is key to controlling junction properties.
Purpose of the Study:
- To investigate the impact of stretching on metal-molecule interactions in 1,4-benzenedithiol (BDT) single-molecule junctions.
- To elucidate the role of contact geometry in the mechanical stability of molecular junctions.
Main Methods:
- Utilizing surface-enhanced Raman scattering (SERS) spectra.
- Analyzing current-voltage (I-V) curves during junction stretching.
Main Results:
- Junction conductance decreased systematically upon stretching.
- Vibrational energy of the CC stretching mode increased with stretching.
- π orbital interaction between BDT and Au diminished due to BDT reorientation.
- Au-S contact coupling reduction was less than Au-pyridine contacts.
Conclusions:
- Reorientation of BDT during stretching alters metal-molecule interactions.
- Contact geometry significantly influences the mechanical tolerance of molecular junctions.
- Thiol-terminated junctions exhibit enhanced stability due to electronic states originating from contact geometry.

