Deciphering I–V characteristics in molecular electronics with the benefit of an analytical model

We share our perspective that a simple analytical model for electron tunneling in molecular junctions can greatly aid quantitative analysis of experimental data in molecular electronics. In particular, the single-level model (SLM), derived from first principles, provides a precise prediction for the current–voltage (I–V) characteristics in terms of key electronic structure parameters, which in turn depend on the molecular and contact architecture. SLM analysis thus facilitates understanding of structure–property relationships and provides metrics that can be compared across different types of tunnel junctions, as we illustrate with several examples.