scholarly journals Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions

Nanoscale ◽  
2021 ◽  
Author(s):  
Luke J. O'Driscoll ◽  
Martin R. Bryce
Keyword(s):  
Quantum Interference ◽  
Graphical Method ◽  
Molecular Wires ◽  
Molecular Junctions ◽  
Structural Effects

An extension to curly arrow rules for the prediction of quantum interference behaviour in conjugated molecular wires widens the scope of this simple graphical method to wires containing heteroatoms, cross-conjugation and/or non-alternant structures.

scholarly journals Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions

2019 ◽  
Author(s):  
Saman Naghibi ◽  
Ali K. Ismael ◽  
Andrea Vezzoli ◽  
Mohsin K. Al-Khaykanee ◽  
Xijia Zheng ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Wires ◽  
Molecular Junctions ◽  
Scanning Probe ◽  
Molecular Wire ◽  
Interference Effects ◽  
Electronic Density ◽  
Molecular Conductance

<b>Control of quantum interference features</b>: molecular junctions incorporating pyrrolodipyridine-based molecular wires were fabricated by scanning probe methods. Quantum interference effects were introduced by employing <i>meta</i>-connected molecules, and modulated in magnitude by changing the substituent on the pyrrolic N. Dramatic changes in molecular conductance and DFT transport calculations demonstrate the storng effect that small changes in electronic density can have on the overall conductance of a molecular wire.

scholarly journals Controlling Quantum Interference by Regulating Charge on the Bridging N Atom of Pyrrolodipyridine Molecular Junctions

2019 ◽  
Author(s):  
Saman Naghibi ◽  
Ali K. Ismael ◽  
Andrea Vezzoli ◽  
Mohsin K. Al-Khaykanee ◽  
Xijia Zheng ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Wires ◽  
Molecular Junctions ◽  
Scanning Probe ◽  
Molecular Wire ◽  
Interference Effects ◽  
Electronic Density ◽  
Molecular Conductance

<b>Control of quantum interference features</b>: molecular junctions incorporating pyrrolodipyridine-based molecular wires were fabricated by scanning probe methods. Quantum interference effects were introduced by employing <i>meta</i>-connected molecules, and modulated in magnitude by changing the substituent on the pyrrolic N. Dramatic changes in molecular conductance and DFT transport calculations demonstrate the storng effect that small changes in electronic density can have on the overall conductance of a molecular wire.

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

Quantum interference in polycyclic hydrocarbon molecular wires

2004 ◽  
Vol 299 (1) ◽  
pp. 139-145 ◽  
Author(s):  
Derek Walter ◽  
Daniel Neuhauser ◽  
Roi Baer
Keyword(s):  
Quantum Interference ◽  
Molecular Wires ◽  
Polycyclic Hydrocarbon

scholarly journals Graphene-Contacted Single Molecular Junctions with Conjugated Molecular Wires

2018 ◽  
Vol 2 (1) ◽  
pp. 12-18 ◽  
Author(s):  
Shuhui Tao ◽  
Qian Zhang ◽  
Chunhui He ◽  
Xiangfei Lin ◽  
Ruochen Xie ◽  
...  
Keyword(s):  
Molecular Wires ◽  
Molecular Junctions

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

scholarly journals Systematic experimental study of quantum interference effects in anthraquinoid molecular wires

2019 ◽  
Vol 1 (5) ◽  
pp. 2018-2028 ◽  
Author(s):  
Marco Carlotti ◽  
Saurabh Soni ◽  
Xinkai Qiu ◽  
Eric Sauter ◽  
Michael Zharnikov ◽  
...  
Keyword(s):  
Experimental Study ◽  
Structure Function ◽  
Quantum Interference ◽  
Electronic Devices ◽  
Molecular Wires ◽  
Design Principles ◽  
Device Fabrication ◽  
Molecular Properties ◽  
Interference Effects ◽  
Molecular Electronic

In order to translate molecular properties in molecular-electronic devices, it is necessary to create design principles that can be used to achieve better structure–function control oriented toward device fabrication.

scholarly journals Symmetry aspects of spin filtering in molecular junctions: Hybridization and quantum interference effects

2019 ◽  
Vol 99 (11) ◽  
Author(s):  
Dongzhe Li ◽  
Rajdeep Banerjee ◽  
Sourav Mondal ◽  
Ivan Maliyov ◽  
Mariya Romanova ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Junctions ◽  
Interference Effects ◽  
Spin Filtering
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