Quantum interference effects in electron transport: How to select suitable molecules for logic gates and thermoelectric devices

TL;DR

This paper reviews how quantum interference effects in molecules influence electron transport, providing a graphical prediction scheme and guidelines for designing molecules for logic and thermoelectric applications.

Contribution

It introduces a graphical scheme to predict quantum interference effects in molecular electronics and discusses criteria for selecting molecules for thermoelectric devices.

Findings

Graphical scheme predicts QI minima in transmission functions.

Guidelines for molecule selection in thermoelectric applications.

Enhanced understanding of structure-QI relationship in single molecules.

Abstract

Since the concepts for the implementation of data storage and logic gates used in conventional electronics cannot be simply downscaled to the level of single molecule devices, new architectural paradigms are needed, where quantum interference (QI) effects are likely to provide an useful starting point. In order to be able to use QI for design purposes in single molecule electronics, the relation between their occurrence and molecular structure has to be understood at such a level that simple guidelines for electrical engineering can be established. We made a big step towards this aim by developing a graphical scheme that allows for the prediction of the occurrence or absence of QI induced minima in the transmission function and the derivation of this method will form the center piece of this review article. In addition the possible usefulness of QI effects for thermoelectric devices is addressed, where the peak shape around a transmission minimum is of crucial importance and different rules for selecting suitable molecules have to be found.