Substitution Pattern Controlled Quantum Interference in [2.2]Paracyclophane-Based Single-Molecule Junctions
Ksenia Reznikova, Chunwei Hsu, Werner M. Schosser, Almudena Gallego, Katawoura Beltako, Fabian Pauly, Herre S. J. van der Zant, Marcel Mayor
Abstract
-PCP core. The experimental findings are interpreted in terms of QI effects between molecular frontier orbitals by theoretical calculations based on density functional theory and the Landauer formalism.
Topics & Concepts
ChemistryConductanceMolecular orbitalMoleculeBreak junctionAnchoringDensity functional theoryAtomic orbitalQuantumElectrodeMolecular physicsQuantum interferenceChemical physicsComputational chemistryElectronCondensed matter physicsQuantum mechanicsPhysicsOrganic chemistryEngineeringPhysical chemistryStructural engineeringMolecular Junctions and NanostructuresOrganic Electronics and PhotovoltaicsForce Microscopy Techniques and Applications