Destructive-quantum-interference suppression in crown ether single molecule junction

2020 ◽  
Vol 93 (6) ◽  
Author(s):  
Zainelabideen Y. Mijbil ◽  
Haider O. Essa
Keyword(s):  
Crown Ether ◽  
Single Molecule ◽  
Quantum Interference ◽  
Interference Suppression ◽  
Molecule Junction ◽  
Single Molecule Junction

Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions

2020 ◽  
Author(s):  
María Camarasa-Gómez ◽  
Daniel Hernangómez-Pérez ◽  
Michael S. Inkpen ◽  
Giacomo Lovat ◽  
E-Dean Fung ◽  
...  
Keyword(s):  
Single Molecule ◽  
Quantum Interference ◽  
Degrees Of Freedom ◽  
Building Blocks ◽  
Ferrocene Derivative ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
The Impact ◽  
D Orbitals

Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted<br>some interest as functional elements of molecular-scale devices. Here we investigate the impact of<br>the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction<br>conductance. Measurements indicate that the conductance of the ferrocene derivative, which is<br>suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated<br>by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.<br>

scholarly journals Complex formation dynamics in a single-molecule electronic device

2016 ◽  
Vol 2 (11) ◽  
pp. e1601113 ◽  
Author(s):  
Huimin Wen ◽  
Wengang Li ◽  
Jiewei Chen ◽  
Gen He ◽  
Longhua Li ◽  
...  
Keyword(s):  
Crown Ether ◽  
Single Molecule ◽  
Electronic Device ◽  
Device Fabrication ◽  
Point Contacts ◽  
Host Guest Complex ◽  
Guest Binding ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
Thermodynamic Processes

Single-molecule electronic devices offer unique opportunities to investigate the properties of individual molecules that are not accessible in conventional ensemble experiments. However, these investigations remain challenging because they require (i) highly precise device fabrication to incorporate single molecules and (ii) sufficient time resolution to be able to make fast molecular dynamic measurements. We demonstrate a graphene-molecule single-molecule junction that is capable of probing the thermodynamic and kinetic parameters of a host-guest complex. By covalently integrating a conjugated molecular wire with a pendent crown ether into graphene point contacts, we can transduce the physical [2]pseudorotaxane (de)formation processes between the electron-rich crown ether and a dicationic guest into real-time electrical signals. The conductance of the single-molecule junction reveals two-level fluctuations that are highly dependent on temperature and solvent environments, affording a nondestructive means of quantitatively determining the binding and rate constants, as well as the activation energies, for host-guest complexes. The thermodynamic processes reveal the host-guest binding to be enthalpy-driven and are consistent with conventional 1H nuclear magnetic resonance titration experiments. This electronic device opens up a new route to developing single-molecule dynamics investigations with microsecond resolution for a broad range of chemical and biochemical applications.

scholarly journals Switching Quantum Interference in Phenoxyquinone Single Molecule Junction with Light

Nanomaterials ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 1544
Author(s):  
Abdalghani Daaoub ◽  
Sara Sangtarash ◽  
Hatef Sadeghi
Keyword(s):  
Molecular Structure ◽  
Single Molecule ◽  
Quantum Interference ◽  
Significant Variation ◽  
Light Stimulus ◽  
New Paradigm ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
External Stimuli

Quantum interference (QI) can lead to large variations in single molecule conductance. However, controlling QI using external stimuli is challenging. The molecular structure of phenoxyquinone can be tuned reversibly using light stimulus. In this paper, we show that this can be utilized to control QI in phenoxyquinone derivatives. Our calculations indicate that, as a result of such variation in molecular structure of phenoxyquinone, a crossover from destructive to constructive QI is induced. This leads to a significant variation in the single molecule conductance by a couple of orders of magnitude. This control of QI using light is a new paradigm in photosensitive single molecule switches and opens new avenues for future QI-based photoswitches.

scholarly journals Mechanical Conductance Tunability of a Porphyrin-Cyclophane Single-Molecule Junction

Nanoscale ◽  
2021 ◽  
Author(s):  
Werner M. Schosser ◽  
Chun-Wei Hsu ◽  
Patrick Zwick ◽  
Katawoura Beltako ◽  
Diana Dulic ◽  
...  
Keyword(s):  
Molecular Electronics ◽  
Single Molecule ◽  
Quantum Interference ◽  
Ambient Conditions ◽  
Molecule Junction ◽  
Single Molecule Junction

The possibility to study quantum interference phenomena at ambient conditions is an appealing feature of molecular electronics. By connecting two porphyrins in a cofacial cyclophane, we create an attractive platform...

scholarly journals Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions

2020 ◽  
Author(s):  
María Camarasa-Gómez ◽  
Daniel Hernangómez-Pérez ◽  
Michael S. Inkpen ◽  
Giacomo Lovat ◽  
E-Dean Fung ◽  
...  
Keyword(s):  
Single Molecule ◽  
Quantum Interference ◽  
Degrees Of Freedom ◽  
Building Blocks ◽  
Ferrocene Derivative ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
The Impact ◽  
D Orbitals

Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted<br>some interest as functional elements of molecular-scale devices. Here we investigate the impact of<br>the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction<br>conductance. Measurements indicate that the conductance of the ferrocene derivative, which is<br>suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated<br>by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.<br>

Phosphindole fused pyrrolo[3,2-b]pyrroles: a new single-molecule junction for charge transport

2019 ◽  
Vol 48 (19) ◽  
pp. 6347-6352
Author(s):  
Di Wu ◽  
Jueting Zheng ◽  
Chenyong Xu ◽  
Dawei Kang ◽  
Wenjing Hong ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
High Thermostability ◽  
New Family ◽  
Luminescence Efficiency ◽  
Molecule Junction ◽  
Single Molecule Junction

A new family of phosphindole fused ladder-type heteroacenes with a pyrrolo[3,2-b]pyrrole core were synthesized and characterized, which show good luminescence efficiency, high thermostability and tunable conductance.

scholarly journals Nearfield trapping increases lifetime of single-molecule junction by one order of magnitude

2020 ◽  
Author(s):  
Albert C. Aragonès ◽  
Katrin F. Domke
Keyword(s):  
Molecular Electronics ◽  
Single Molecule ◽  
Fold Increase ◽  
Trapping Efficiency ◽  
Non Invasive ◽  
Order Of Magnitude ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
The Difference ◽  
Power Densities

Abstract Progress in molecular electronics (ME) is largely based on improved understanding of the properties of single molecules (SM) trapped for seconds or longer to enable their detailed characterization. We present a plasmon-supported break-junction (PBJ) platform to significantly increase the lifetime of SM junctions of 1,4-benzendithiol (BDT) without the need for chemical modification of molecule or electrode. Moderate far-field power densities of ca. 11 mW/µm2 lead to a >10-fold increase in minimum lifetime compared to laser-OFF conditions. The nearfield trapping efficiency is twice as large for bridge-site contact compared to hollow-site geometry, which can be attributed to the difference in polarizability. Current measurements and tip-enhanced Raman spectra confirm that native structure and contact geometry of BDT are preserved during the PBJ experiment. By providing a non-invasive pathway to increase short lifetimes of SM junctions, PBJ is a valuable approach for ME, paving the way for improved SM sensing and recognition platforms.

Tuning the thermoelectric properties of a single-molecule junction by mechanical stretching

2015 ◽  
Vol 17 (7) ◽  
pp. 5386-5392 ◽  
Author(s):  
Alberto Torres ◽  
Renato B. Pontes ◽  
Antônio J. R. da Silva ◽  
Adalberto Fazzio
Keyword(s):  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Single Molecule ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Heat Conductance ◽  
Molecule Junction ◽  
Electronic Heat ◽  
Single Molecule Junction ◽  
Mechanical Stretching

We theoretically investigate, as a function of the stretching, the behaviour of the Seebeck coefficient, the electronic heat conductance and the figure of merit of a molecule-based junction composed of a benzene-1,4-dithiolate (BDT) molecule coupled to Au(111) surfaces at room temperature.

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