Single molecule charge transport: from a quantum mechanical to a classical description

Abstract

This paper explores charge transport at the single molecule level. The conductive properties of both small organic molecules and conjugated polymers (molecular wires) are considered. In particular, the reasons for the transition from fully coherent to incoherent charge transport and the approaches that can be taken to describe this transition are addressed in some detail. The effects of molecular orbital symmetry, quantum interference, static disorder and molecular vibrations on charge transport are discussed. All of these effects must be taken into account (and may be used in a functional way) in the design of molecular electronic devices. An overview of the theoretical models employed when studying charge transport in small organic molecules and molecular wires is presented.