Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

In situ Formation of Highly Conducting Covalent Au-C Contacts for Single-Molecule Junctions

Journal Article · · Nature Nanotechnology

Charge transport across metal-molecule interfaces has an important role in organic electronics. Typically, chemical link groups such as thiols or amines are used to bind organic molecules to metal electrodes in single-molecule circuits, with these groups controlling both the physical structure and the electronic coupling at the interface. Direct metal-carbon coupling has been shown through C60, benzene and {pi}-stacked benzene but ideally the carbon backbone of the molecule should be covalently bonded to the electrode without intervening link groups. Here, we demonstrate a method to create junctions with such contacts. Trimethyl tin (SnMe{sub 3})-terminated polymethylene chains are used to form single-molecule junctions with a break-junction technique. Gold atoms at the electrode displace the SnMe{sub 3} linkers, leading to the formation of direct Au-C bonded single-molecule junctions with a conductance that is {approx}100 times larger than analogous alkanes with most other terminations. The conductance of these Au-C bonded alkanes decreases exponentially with molecular length, with a decay constant of 0.97 per methylene, consistent with a non-resonant transport mechanism. Control experiments and ab initio calculations show that high conductances are achieved because a covalent Au-C sigma ({sigma}) bond is formed. This offers a new method for making reproducible and highly conducting metal-organic contacts.

Research Organization:
Brookhaven National Laboratory (BNL) Center for Functional Nanomaterials
Sponsoring Organization:
DOE - OFFICE OF SCIENCE
DOE Contract Number:
AC02-98CH10886
OSTI ID:
1024330
Report Number(s):
BNL--94628-2011-JA; KC020401H
Journal Information:
Nature Nanotechnology, Journal Name: Nature Nanotechnology Journal Issue: 6 Vol. 6; ISSN 1748-3387
Country of Publication:
United States
Language:
English

Similar Records

Highly Conducting pi-Conjugated Molecular Junctions Covalently Bonded to Gold Electrodes
Journal Article · Wed Nov 02 00:00:00 EDT 2011 · Journal of the American Chemical Society · OSTI ID:1034089

Linker Dependent Bond Rupture Force Measurements in Single-Molecule Junctions
Journal Article · Wed Feb 15 23:00:00 EST 2012 · Journal of the American Chemical Society · OSTI ID:1041632

Electrochemically Mediated Au–C(sp2) Anchors for Molecular Electronics
Journal Article · Fri Sep 19 00:00:00 EDT 2025 · Journal of Physical Chemistry. C · OSTI ID:3009739