Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations

TL;DR

This paper combines inelastic electron tunneling spectroscopy and first-principles calculations to characterize single-molecule pentanedithiol junctions, revealing detailed insights into their behavior and confirming tunneling through a single molecule.

Contribution

It introduces a combined experimental and theoretical approach to analyze single-molecule junctions, providing detailed characterization methods.

Findings

Tunneling occurs through a single molecule.

The junction response to elastic deformation is characterized.

The methodology enables detailed analysis of molecular junctions.

Abstract

We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the response of the junction to elastic deformation is examined. We show that this procedure makes a detailed characterization of the molecular junction possible. In particular, our results indicate that tunneling takes place through just a single molecule.