Folding a Single-Molecule Junction

Area of Science:

• Nanoelectronics
• Quantum Phenomena
• Molecular Devices

Background:

• Stimuli-responsive molecular junctions are key nanoelectronic devices.
• Quantum phenomena offer pathways to large conductance changes.

Purpose of the Study:

• Investigate significant conductance changes in molecules via mechanical manipulation.
• Explore novel mechanoresistive molecular devices.

Main Methods:

• Repeatedly compressing and relaxing molecules.
• Analyzing molecular folding and conformational changes (anti/syn).
• Employing power spectral density analysis and DFT transport calculations.

Main Results:

• Achieved significant conductance changes through mechanical cycling.
• Identified molecular folding and anti-syn conformational shifts.
• Demonstrated through-space tunneling between phenyl fragments as the conductance increase mechanism.

Conclusions:

• This work introduces a novel class of mechanoresistive molecular devices.
• The mechanism relies on intramolecular nonbonding interactions and through-space tunneling.
• Contrasts with existing mechanoresistivity studies focused on molecule-electrode interfaces.