scholarly journals Connectivity-driven bi-thermoelectricity in heteroatom-substituted molecular junctions

2018 ◽  
Vol 20 (14) ◽  
pp. 9630-9637 ◽  
Author(s):  
Sara Sangtarash ◽  
Hatef Sadeghi ◽  
Colin J. Lambert
Keyword(s):  
Seebeck Coefficient ◽  
Quantum Interference ◽  
Molecular Junctions ◽  
Thermoelectric Performance ◽  
Polyaromatic Hydrocarbon ◽  
Heteroatom Substitution ◽  
New Strategy

To improve the thermoelectric performance of molecular junctions formed by polyaromatic hydrocarbon (PAH) cores, we present a new strategy for enhancing their Seebeck coefficient by utilizing connectivities with destructive quantum interference combined with heteroatom substitution.

scholarly journals Gating of Quantum Interference in Molecular Junctions by Heteroatom Substitution

2016 ◽  
Vol 56 (1) ◽  
pp. 173-176 ◽  
Author(s):  
Xunshan Liu ◽  
Sara Sangtarash ◽  
David Reber ◽  
Dan Zhang ◽  
Hatef Sadeghi ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Junctions ◽  
Heteroatom Substitution

scholarly journals Oscillating Seebeck coefficients in π-stacked molecular junctions

RSC Advances ◽  
2018 ◽  
Vol 8 (44) ◽  
pp. 24711-24715 ◽  
Author(s):  
Mohsin K. Al-Khaykanee ◽  
Ali K. Ismael ◽  
Iain Grace ◽  
Colin J. Lambert
Keyword(s):  
Seebeck Coefficient ◽  
Quantum Interference ◽  
Molecular Junctions ◽  
Seebeck Coefficients

When two adjacent molecules are slid across each other, quantum interference causes oscillations in their conductance and Seebeck coefficient.

scholarly journals Gating of Quantum Interference in Molecular Junctions by Heteroatom Substitution

2016 ◽  
Vol 129 (1) ◽  
pp. 179-182 ◽  
Author(s):  
Xunshan Liu ◽  
Sara Sangtarash ◽  
David Reber ◽  
Dan Zhang ◽  
Hatef Sadeghi ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Junctions ◽  
Heteroatom Substitution

High tunneling magnetoresistance induced by symmetry and quantum interference in magnetic molecular junctions

2021 ◽  
Author(s):  
Lin Huang ◽  
Yu-Jia Zeng ◽  
Dan Wu ◽  
Nan-Nan Luo ◽  
Ye-Xin Feng ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Green's Function ◽  
Quantum Interference ◽  
Density Functional ◽  
Molecular Junctions ◽  
Tunneling Magnetoresistance ◽  
Functional Theory ◽  
Nonequilibrium Green's Function ◽  
Molecular Scale

Achieving high tunneling magnetoresistance (TMR) in molecular-scale junctions is attractive for their applications in spintronics. By using density-functional theory (DFT) in combination with the nonequilibrium Green's function (NEGF) method, we...

scholarly journals Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design

2021 ◽  
Author(s):  
Luke J. O’Driscoll ◽  
Sara Sangtarash ◽  
Wei Xu ◽  
Abdalghani Daaoub ◽  
Wenjing Hong ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Design ◽  
Molecular Junctions

scholarly journals Enhancing the thermoelectric performance of Cu3SnS4-based solid solutions through coordination of the Seebeck coefficient and carrier concentration

2017 ◽  
Vol 5 (35) ◽  
pp. 18808-18815 ◽  
Author(s):  
Yuanbo Yang ◽  
Pengzhan Ying ◽  
Jinzhi Wang ◽  
Xianglian Liu ◽  
Zhengliang Du ◽  
...  
Keyword(s):  
Seebeck Coefficient ◽  
Carrier Concentration ◽  
Solid Solutions ◽  
Thermoelectric Performance

Through coordination of the Seebeck coefficient and carrier concentration in Cu3SnS4, TE performance improves significantly with the ZT value of 0.75 at 790 K.

Switchable Spin Filters in Magnetic Molecular Junctions Based on Quantum Interference

2020 ◽  
Vol 6 (12) ◽  
pp. 2000689
Author(s):  
Lin Huang ◽  
Shi‐Zhang Chen ◽  
Yu‐Jia Zeng ◽  
Dan Wu ◽  
Bo‐Lin Li ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Junctions ◽  
Spin Filters

Quantum Interference Enhanced Thermoelectricity in Ferrocene Based Molecular Junctions

2019 ◽  
Vol 19 (11) ◽  
pp. 7452-7455
Author(s):  
Ashkan Vakilipour Takaloo ◽  
Hatef Sadeghi
Keyword(s):  
Seebeck Coefficient ◽  
Single Molecule ◽  
Power Factor ◽  
Quantum Interference ◽  
Room Temperature ◽  
Thermoelectric Power Factor ◽  
Molecular Scale ◽  
Single Molecule Junctions ◽  
Path Structure ◽  
Single Path

Recent experimental indications of room-temperature quantum interference in the sub-nanometer single molecules suggest that such effects could be utilized to engineer thermoelectric properties of organic single molecule junctions. In this paper, we show that the thermoelectric power factor is significantly enhanced in double path ferrocene cycles compared to the single path counterpart. Due to quantum interference in the double path structure, the Seebeck coefficient is significantly enhanced while the conductance is less affected compared to single path structure. The power factor of the ferrocene cycles are 1–2 orders of magnitude higher than the best organic material reported today. This opens new avenues for future molecular scale organometallic thermoelectricity.

Sign in / Sign up

Export Citation Format

Share Document