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Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units

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Current-driven dynamics in molecular junctions: endohedral fullerenes.

Ryan Jorn¹, Jin Zhao, Hrvoje Petek

¹Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113, United States.

|September 3, 2011

Summary

We present a new approach for single molecule devices using electronic control of atom motion inside fullerene cages. This enables novel nanoelectromechanical systems and single molecule electronics applications.

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Area of Science:

Molecular Electronics
Nanotechnology
Quantum Mechanics

Background:

Single molecule devices offer potential for miniaturization.
Controlling internal atomic motion is key for novel functionalities.

Purpose of the Study:

Introduce a new paradigm for single molecule devices.
Explore electronic actuation of internal atom motion within fullerene cages.

Main Methods:

Combined electronic structure calculations and dynamical simulations.
Investigated current-triggered dynamics in endohedrally doped fullerene molecular junctions.

Main Results:

Observed Li atom oscillation within a C(60) cage in an Au-Li@C(60)-Au junction.
Demonstrated fullerene cage bouncing between gold electrodes due to atom motion.
Identified coupled 2D dynamics initiated by inelastic electron tunneling.

Conclusions:

This work establishes a new paradigm for single molecule devices.
Findings have implications for advancing single molecule electronics and nanoelectromechanical systems.