Elastic and inelastic electron transport in metal–molecule(s)–metal junctions

An overview of studies on elastic and inelastic electron transport properties of molecular junction devices is presented. The development of the experimental fabrication and characterization of molecular junctions as well as the corresponding theoretical modeling is briefly summarized. The functions of molecular devices are generally governed by the intrinsic structure–property relationships, and strongly affected by various environment factors including temperature, solvent and intermolecular interactions. Those detailed structural and environmental information could be probed by a powerful tool of inelastic electron tunneling spectroscopy, for which the theoretical modeling becomes particularly important. With many successful examples, it is demonstrated that the combination of theoretical simulations and experimental measurements can help not only to understand the electron–phonon interaction, but more importantly also to accurately determine the real configurations of molecules inside the junctions.

► Studies on elastic and inelastic electron transport in molecular junctions are reviewed.
► Experimental techniques and modeling methods are summarized.
► Intrinsic structure–property relationships and effects of the environment are revealed.
► The importance of IETS for determining molecular conformations is emphasized.