scholarly journals Heat dissipation and its relation to molecular orbital energies in single-molecule junctions

2015 ◽  
Vol 252 (12) ◽  
pp. 2714-2722 ◽  
Author(s):  
Yaghoob Naimi ◽  
Javad Vahedi
Keyword(s):  
Molecular Orbital ◽  
Single Molecule ◽  
Heat Dissipation ◽  
Orbital Energies ◽  
Single Molecule Junctions

scholarly journals Heat dissipation and its relation to thermopower in single-molecule junctions

2014 ◽  
Vol 16 (1) ◽  
pp. 015004 ◽  
Author(s):  
L A Zotti ◽  
M Bürkle ◽  
F Pauly ◽  
W Lee ◽  
K Kim ◽  
...  
Keyword(s):  
Single Molecule ◽  
Heat Dissipation ◽  
Single Molecule Junctions

Mechanically controlled molecular orbital alignment in single molecule junctions

2011 ◽  
Vol 7 (1) ◽  
pp. 35-40 ◽  
Author(s):  
Christopher Bruot ◽  
Joshua Hihath ◽  
Nongjian Tao
Keyword(s):  
Molecular Orbital ◽  
Single Molecule ◽  
Single Molecule Junctions

Guidelines and diagnostics for charge carrier tuning in thiophene-based wires

2017 ◽  
Vol 19 (34) ◽  
pp. 23254-23259 ◽  
Author(s):  
Ganna Gryn'ova ◽  
Pauline J. Ollitrault ◽  
Clémence Corminboeuf
Keyword(s):  
Charge Carrier ◽  
Molecular Orbital ◽  
Single Molecule ◽  
Frontier Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Single Molecule Junctions

Reported experimental trends in charge carrier tuning in single molecule junctions of oligothiophene-based wires are rationalized by means of frontier molecular orbital theory.

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>

Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning

2018 ◽  
Author(s):  
Kun Wang ◽  
Andrea Vezzoli ◽  
Iain Grace ◽  
Maeve McLaughlin ◽  
Richard Nichols ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Single Molecule ◽  
Quantum Interference ◽  
Transmission Function ◽  
Scanning Tunneling ◽  
Charge Transfer Complexes ◽  
Tunneling Microscopy ◽  
Quantum Interference Effect ◽  
Single Molecule Junctions ◽  
Charge Transfer Complexation

We have used scanning tunneling microscopy to create and study single molecule junctions with thioether-terminated oligothiophene molecules. We find that the conductance of these junctions increases upon formation of charge transfer complexes of the molecules with tetracyanoethene, and that the extent of the conductance increase is greater the longer is the oligothiophene, i.e. the lower is the conductance of the uncomplexed molecule in the junction. We use non-equilibrium Green's function transport calculations to explore the reasons for this theoretically, and find that new resonances appear in the transmission function, pinned close to the Fermi energy of the contacts, as a consequence of the charge transfer interaction. This is an example of a room temperature quantum interference effect, which in this case boosts junction conductance in contrast to earlier observations of QI that result in diminished conductance.<br>

Dissecting Contact Mechanics from Quantum Interference in Single-Molecule Junctions of Stilbene Derivatives

Nano Letters ◽  
2012 ◽  
Vol 12 (3) ◽  
pp. 1643-1647 ◽  
Author(s):  
Sriharsha V. Aradhya ◽  
Jeffrey S. Meisner ◽  
Markrete Krikorian ◽  
Seokhoon Ahn ◽  
Radha Parameswaran ◽  
...  
Keyword(s):  
Contact Mechanics ◽  
Single Molecule ◽  
Quantum Interference ◽  
Single Molecule Junctions ◽  
Stilbene Derivatives

scholarly journals Correction: Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives

Nanoscale ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 4685-4686
Author(s):  
Hervé Dekkiche ◽  
Andrea Gemma ◽  
Fatemeh Tabatabaei ◽  
Andrei S. Batsanov ◽  
Thomas Niehaus ◽  
...  
Keyword(s):  
Single Molecule ◽  
Single Molecule Junctions ◽  
Electronic Conductance

Correction for ‘Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives’ by Hervé Dekkiche et al., Nanoscale, 2020, 12, 18908–18917, DOI: 10.1039/D0NR04413J.

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