Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design
Luke J. O’Driscoll, Sara Sangtarash, Wei Xu, Abdalghani Daaoub, Wenjing Hong, Hatef Sadeghi, Martin R. Bryce
Abstract
-connected isomer. These results demonstrate modulation of antiresonances by molecular design and verify the validity of ECARs as a simple "pen-and-paper" method for predicting QI behavior. The principles offer new fundamental insights into structure-property relationships in molecular junctions and can now be exploited in a range of different heterocycles for molecular electronic applications, such as switches based on external gating, or in thermoelectric devices.
Topics & Concepts
HeteroatomConductanceDensity functional theoryChemistryMolecular electronicsChemical physicsMoleculeScanning tunneling microscopeNanotechnologyMaterials scienceComputational chemistryPhysicsRing (chemistry)Organic chemistryCondensed matter physicsMolecular Junctions and NanostructuresQuantum and electron transport phenomenaSurface and Thin Film Phenomena