Evaluation of the Electronic Structure of Single-Molecule Junctions Based on Current-Voltage and Thermopower Measurements: Application to C60Single-Molecule Junction

2017 ◽  
Vol 12 (4) ◽  
pp. 440-445 ◽  
Author(s):  
Yuki Komoto ◽  
Yuji Isshiki ◽  
Shintaro Fujii ◽  
Tomoaki Nishino ◽  
Manabu Kiguchi
Keyword(s):  
Electronic Structure ◽  
Single Molecule ◽  
Current Voltage ◽  
Single Molecule Junctions ◽  
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 Identifying the molecular adsorption site of a single molecule junction through combined Raman and conductance studies

2019 ◽  
Vol 10 (25) ◽  
pp. 6261-6269 ◽  
Author(s):  
Satoshi Kaneko ◽  
Enrique Montes ◽  
Sho Suzuki ◽  
Shintaro Fujii ◽  
Tomoaki Nishino ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Single Molecule ◽  
Adsorption Site ◽  
Voltage Response ◽  
Molecular Adsorption ◽  
Current Voltage ◽  
Molecule Junction ◽  
Single Molecule Junction

An analysis combining SERS and current–voltage response measurements with DFT calculations has identified the molecular adsorption site in a single molecule junction.

scholarly journals Exploring the thermoelectric properties of oligo(phenylene-ethynylene) derivatives

Nanoscale ◽  
2020 ◽  
Vol 12 (28) ◽  
pp. 15150-15156
Author(s):  
Hang Chen ◽  
Sara Sangtarash ◽  
Guopeng Li ◽  
Markus Gantenbein ◽  
Wenqiang Cao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Single Molecule ◽  
Phenylene Ethynylene ◽  
Single Molecule Junctions

Seebeck coefficient measurements provide unique insights into the electronic structure of single-molecule junctions.

Kinetic investigation of a chemical process in single-molecule junction

2020 ◽  
Vol 56 (2) ◽  
pp. 309-312 ◽  
Author(s):  
Yusuke Hasegawa ◽  
Takanori Harashima ◽  
Yuki Jono ◽  
Takumi Seki ◽  
Manabu Kiguchi ◽  
...  
Keyword(s):  
Single Molecule ◽  
Chemical Process ◽  
Kinetic Investigation ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction

Herein, we report on the kinetic investigation for the breakdown of single-molecule junctions.

scholarly journals Gating of single molecule junction conductance by charge transfer complex formation

Nanoscale ◽  
2015 ◽  
Vol 7 (45) ◽  
pp. 18949-18955 ◽  
Author(s):  
Andrea Vezzoli ◽  
Iain Grace ◽  
Carly Brooke ◽  
Kun Wang ◽  
Colin J. Lambert ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Complex Formation ◽  
Single Molecule ◽  
Charge Transfer Complex ◽  
Single Molecule Junctions ◽  
Aromatic Donor ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
Junction Conductance

Tetracyanoethene complexation boosts the conductance of metal |molecule| metal single molecule junctions involving suitable aromatic donor moieties by about 20-fold.

Single-molecule junctions of π molecules

2018 ◽  
Vol 2 (2) ◽  
pp. 214-218 ◽  
Author(s):  
Y. Komoto ◽  
S. Fujii ◽  
M. Kiguchi
Keyword(s):  
Intermolecular Interaction ◽  
Single Molecule ◽  
Intrinsic Properties ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction

An investigation on a single-molecule junction reveals the intrinsic properties of a π molecule without the effect of intermolecular interaction and also uncovers its unique properties.

FIRST-PRINCIPLES STUDY ON PHOTOSWITCHING BEHAVIOR IN SINGLE MOLECULE JUNCTION

2018 ◽  
Vol 25 (03) ◽  
pp. 1850070 ◽  
Author(s):  
BAO-AN BIAN ◽  
YA-PENG ZHENG ◽  
PEI-PEI YUAN ◽  
BIN LIAO ◽  
YU-QIANG DING
Keyword(s):  
Single Molecule ◽  
First Principles ◽  
Density Functional ◽  
Molecular Switch ◽  
Functional Theory ◽  
Current Voltage ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
Close Form ◽  
Non Equilibrium Green’S Function

We carry out first-principles calculations based on density functional theory and non-equilibrium Green’s function to investigate the electronic transport properties of a diarylethene-based molecule sandwiched between two Au electrodes. This molecular switch can be reversed between open and close forms by using light stimulation. We analyze the switch behavior of these two forms through the current–voltage curves, transmission spectra and molecular projected self-consistent Hamiltonian. It has been found that the current of the close form is significantly larger than the open form, and there is a large and stable switch ratio in a wide bias window. This result indicates that this molecule can become one of the good candidates for optical molecular switch in the future.

Sign in / Sign up

Export Citation Format

Share Document