scholarly journals Radical enhancement of molecular thermoelectric efficiency

2020 ◽  
Vol 2 (3) ◽  
pp. 1031-1035
Author(s):  
Sara Sangtarash ◽  
Hatef Sadeghi
Keyword(s):  
Fermi Level ◽  
Quantum Interference ◽  
Thermoelectric Efficiency ◽  
Stable Radicals ◽  
Radical Enhancement

The challenge in exploiting quantum interference (QI) in molecules for thermoelectricity lies in controlling the alignment of QI induced resonances close to electrodes Fermi level. We show that spin orbitals in stable radicals can be utilised to overcome this challenge.

Enhancement of thermoelectric efficiency by quantum interference effects in trilayer silicene flakes

2016 ◽  
Vol 29 (1) ◽  
pp. 015004 ◽  
Author(s):  
Natalia Cortés ◽  
L Rosales ◽  
Leonor Chico ◽  
M Pacheco ◽  
P A Orellana
Keyword(s):  
Quantum Interference ◽  
Interference Effects ◽  
Thermoelectric Efficiency

Electronic States near the Fermi Level in the Antiferromagnetic and Ferromagnetic Spinels of Zn 1− x Cu x Cr 2 Se 4 ; 0.0 ≤ x ≤ 1.0

2002 ◽  
Vol 75 (4-5) ◽  
pp. 359-371
Author(s):  
M. Hidaka ◽  
N. Tokiwa ◽  
M. Yoshimura ◽  
H. Fujii ◽  
Jae-Young Choi ◽  
...  
Keyword(s):  
Fermi Level ◽  
Electronic States

Effect of proximity of the Fermi level to singular points in the band structure on the kinetic and lattice properties of metals and alloys

1988 ◽  
Vol 154 (3) ◽  
pp. 525 ◽  
Author(s):  
V.P. Antropov ◽  
Valentin G. Vaks ◽  
M.I. Katsnel'son ◽  
V.G. Koreshkov ◽  
A.I. Likhtenshtein ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Level ◽  
Metals And Alloys ◽  
Singular Points

One-electron transistors based on Coulomb blockade and quantum interference

1999 ◽  
Vol 169 (4) ◽  
pp. 471 ◽  
Author(s):  
Z.D. Kvon ◽  
L.V. Litvin ◽  
V.A. Tkachenko ◽  
A.L. Aseev
Keyword(s):  
Coulomb Blockade ◽  
Quantum Interference ◽  
Electron Transistors

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>

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