Molecule-electrode bonding design for high single-molecule conductance

J Am Chem Soc. 2010 Dec 15;132(49):17364-5. doi: 10.1021/ja108032q. Epub 2010 Nov 18.

Abstract

We report the application of an intermolecular interaction design for organic conductor crystals with a high conductance to a molecule-electrode design for a high single-molecule conductance by using dithiol and diselenol terthiophenes. We found that dithiol and diselenol single-molecule junctions show the highest single-molecule conductance among single-molecule junctions with Au-S and Au-Se bonds, and that diselenol single-molecule junctions have a higher single-molecule conductance than dithiol ones. We demonstrate that replacing S atoms with Se atoms is a promising molecule-electrode bonding design for a high single-molecule conductance.