Revealing the Conformational Dynamics in a Single-Molecule Junction by Site- and Angle-Resolved Dynamic Probe Method

ACS Nano ◽  
2016 ◽  
Vol 10 (12) ◽  
pp. 11211-11218 ◽  
Author(s):  
Shoji Yoshida ◽  
Atsushi Taninaka ◽  
Yoshihiro Sugita ◽  
Tomoki Katayama ◽  
Osamu Takeuchi ◽  
...  
Keyword(s):  
Single Molecule ◽  
Conformational Dynamics ◽  
Probe Method ◽  
Molecule Junction ◽  
Single Molecule Junction

scholarly journals Evolution of local conductance pathways in a single-molecule junction studied using the three-dimensional dynamic probe method

Nanoscale ◽  
2019 ◽  
Vol 11 (13) ◽  
pp. 5951-5959 ◽  
Author(s):  
Atsushi Taninaka ◽  
Shoji Yoshida ◽  
Yoshihiro Sugita ◽  
Osamu Takeuchi ◽  
Hidemi Shigekawa
Keyword(s):  
Single Molecule ◽  
Density Functional ◽  
Three Dimensional ◽  
Probe Method ◽  
Molecular Structures ◽  
Functional Theory ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
Transmission Pathways ◽  
Local Transmission

By combining a three-dimensional dynamic probe method with density functional theory, it has become possible to simultaneously consider the effect of the dynamics of molecular structures and the bonding states at the electrodes on the local transmission pathways and conductance.

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.

scholarly journals Large Conductance Variations in a Mechanosensitive Single-Molecule Junction

Nano Letters ◽  
2018 ◽  
Vol 18 (9) ◽  
pp. 5981-5988 ◽  
Author(s):  
Davide Stefani ◽  
Kevin J. Weiland ◽  
Maxim Skripnik ◽  
Chunwei Hsu ◽  
Mickael L. Perrin ◽  
...  
Keyword(s):  
Single Molecule ◽  
Molecule Junction ◽  
Single Molecule Junction

Formation of a Chain-like Water Single Molecule Junction with Pd Electrodes

2018 ◽  
Vol 122 (8) ◽  
pp. 4698-4703 ◽  
Author(s):  
Risa Fukuzumi ◽  
Satoshi Kaneko ◽  
Shintaro Fujii ◽  
Tomoaki Nishino ◽  
Manabu Kiguchi
Keyword(s):  
Single Molecule ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
A Chain
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