Journal article
The Relation between Structure and Quantum Interference in Single Molecule Junctions
Quantum interference (QI) of electron pathways has recently attracted increased interest as an enabling tool for single-molecule electronic devices. Although various molecular systems have been shown to exhibit QI effects and a number of methods have been proposed for its analysis, simple guidelines linking the molecular structure to QI effects in the phase-coherent transport regime have until now been lacking.
In the present work we demonstrate that QI in aromatic molecules is intimately related to the topology of the molecule’s π system and establish a simple graphical scheme to predict the existence of QI-induced transmission antiresonances. The generality of the scheme, which is exact for a certain class of tight-binding models, is proved by a comparison to first-principles transport calculations for 10 different configurations of anthraquinone as well as a set of cross-conjugated molecular wires.
Language: | English |
---|---|
Publisher: | American Chemical Society |
Year: | 2010 |
Pages: | 4260-4265 |
ISSN: | 15306992 and 15306984 |
Types: | Journal article |
DOI: | 10.1021/nl101688a |