Searching the hearts of graphene-like molecules for simplicity, sensitivity and logic
arXiv:1509.00984 · doi:10.1021/jacs.5b06558
Abstract
If quantum interference patterns in the hearts of polycyclic aromatic hydrocarbons (PAHs) could be isolated and manipulated, then a significant step towards realizing the potential of single-molecule electronics would be achieved. Here we demonstrate experimentally and theoretically that a simple, parameter-free, analytic theory of interference patterns evaluated at the mid-point of the HOMO-LUMO gap (referred to as M-functions) correctly predicts conductance ratios of molecules with pyrene, naphthalene, anthracene, anthanthrene or azulene hearts. M-functions provide new design strategies for identifying molecules with phase-coherent logic functions and enhancing the sensitivity of molecular-scale interferometers.
arXiv commentin J. Am. Chem. Soc. (2015)
References in corpus (17)
- The SIESTA method for ab initio order-N materials simulation
- Efficient index handling of multidimensional periodic boundary conditions
- Single-Molecule Circuits with Well-Defined Molecular Conductance
- Mechanically-Controlled Binary Conductance Switching of a Single-Molecule Junction
- Observation of Quantum Interference in Molecular Charge Transport
- Amine-Gold Linked Single-Molecule Junctions: Experiment and Theory
- GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
- Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions
- Giant Thermoelectric Effect from Transmission Supernodes
- Control of electron transport through Fano resonances in molecular wires
- Breakdown of Interference Rules in Azulene, a Non-Alternant Hydrocarbon
- Electrochemical control of quantum interference in anthraquinone-based molecular switches
- Magic ratios for connectivity-driven electrical conductance of graphene-like molecules
- Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance
- Forces and conductances in a single-molecule bipyridine junction
- Exploiting the Extended π-System of Perylene Bisimide for Label-free Single-Molecule Sensing
- Quantum Interference Controlled Molecular Electronics
Cited by in corpus (6)
- A Magic Ratio Rule for Beginners: a Chemist's Guide to Quantum Interference in Molecules
- Exploring quantum interference in heteroatom-substituted graphene-like molecules
- Stability of destructive interference antiresonances in electron transport through graphene nanostructures
- Enhancing the sensitivity and selectivity of pyrene-based sensors for detection of small gaseous molecules via destructive quantum interference
- Electrode effects on the observability of destructive quantum interference in single-molecule junctions
- Magic number theory of superconducting proximity effects and Wigner delay times in graphene-like molecules