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.