A Peierls Transition in Long Polymethine Molecular Wires: Evolution of Molecular Geometry and Single-Molecule Conductance

2021 ◽  
Author(s):  
Wenjun Xu ◽  
Edmund Leary ◽  
Sara Sangtarash ◽  
Michael Jirasek ◽  
M. Teresa González ◽  
...  
Keyword(s):  
Single Molecule ◽  
Molecular Geometry ◽  
Molecular Wires ◽  
Peierls Transition

Single Molecule-Based Electronic Devices: A Review

NANO ◽  
2019 ◽  
Vol 14 (11) ◽  
pp. 1930007 ◽  
Author(s):  
Bingrun Chen ◽  
Ke Xu
Keyword(s):  
Single Molecule ◽  
Electronic Device ◽  
Field Effect Transistors ◽  
Electronic Devices ◽  
Differential Resistance ◽  
Molecular Wires ◽  
Molecular Electronic ◽  
Thermoelectric Effects ◽  
Thermally Induced ◽  
Molecular Electronic Devices

In the face of the fact that the development of traditional silicon-based electronic devices is increasingly limited, single molecule electronic device, which has been attracting more and more attention, is considered as one of the most hopeful candidates to realize the miniaturization of conventional electronic devices. In this paper, an overview of single molecule electronic devices is provided, including molecular electronic devices and electrode types. First, several molecular electronic devices are presented, including molecular diodes, molecular memories, molecular wires, molecular field effect transistors (FET) and molecular switches. Then the influence of different electrode types of the transport characteristics is introduced, showing that graphene is a promising electrode material for single molecule electronic devices. Moreover, other excellent characteristics of molecular devices are briefly introduced, such as potential thermoelectric effects, new thermally induced spin transport phenomena and negative differential resistance (NDR) behavior. Finally, the future challenges to the development of electronic devices based on single molecules are described.

Environmental Effects on the Single Molecule Conductance of bis(thiahexyl)oligothiophenes

2009 ◽  
Vol 1154 ◽  
Author(s):  
Edmund Leary ◽  
Horst Höbenreich ◽  
Simon J. Higgins ◽  
Harm van Zalinge ◽  
Wolfgang Haiss ◽  
...  
Keyword(s):  
Electron Transport ◽  
Single Molecule ◽  
Environmental Effects ◽  
Electronic Devices ◽  
Molecular Wires ◽  
Water Molecules ◽  
Ambient Water ◽  
Molecular Electronic ◽  
Molecular Conductance ◽  
Non Equilibrium Green’S Function

AbstractSimple alkanedithiols exhibit the same molecular conductance whether measured in air, under vacuum or under liquids of different polarity. Here, we show that the presence of water ‘gates’ the conductance of a family of oligothiophene–containing molecular wires, and that the longer the oligothiophene, the larger is the effect; for the longest example studied, the molecular conductance is over two orders of magnitude larger in the presence of water, an unprecedented result suggesting that ambient water is a crucial factor to be taken into account when measuring single molecule conductances (SMC), or in the design of future molecular electronic devices. Theoretical investigation of electron transport through the molecules, using the ab initio non-equilibrium Green's function (SMEAGOL) method, shows that water molecules interact with the thiophene rings, shifting the transport resonances enough to increase greatly the SMC of the longer, more conjugated examples.

Cover Picture: Inorganic and Organometallic Molecular Wires for Single-Molecule Devices (Chem. Eur. J. 20/2017)

2017 ◽  
Vol 23 (20) ◽  
pp. 4738-4738
Author(s):  
Yuya Tanaka ◽  
Manabu Kiguchi ◽  
Munetaka Akita
Keyword(s):  
Single Molecule ◽  
Molecular Wires

scholarly journals The Single Molecule Magnets Mn12 and Fe8

2013 ◽  
pp. 106-118
Keyword(s):  
Single Molecule ◽  
Molecular Modelling ◽  
Material Science ◽  
Molecular Geometry ◽  
Cutting Edge ◽  
Science Students ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet ◽  
Ligand Interactions ◽  
Metal Ligand

In this exercise students will review a number of fundamental concepts including molecular geometry, electron configurations, magnetism, metal-ligand interactions, and material science. Students will use molecular modelling software to build, visualize and study a cutting edge material (single molecule magnet).

See-Saw Shaped Dy(III) Single-Molecule Magnets with High Anisotropy Barriers

2020 ◽  
Author(s):  
Katie L. M. Harriman ◽  
Jesse Murillo ◽  
Elizaveta A. Suturina ◽  
Skye Fortier ◽  
Muralee Murugesu
Keyword(s):  
Magnetic Susceptibility ◽  
Single Molecule ◽  
Molecular Geometry ◽  
High Energy ◽  
Zero Field ◽  
Relaxation Dynamics ◽  
Single Molecule Magnets ◽  
Ancillary Ligands ◽  
Spin Reversal ◽  
Magnetic Spin

<p>Utilizing a terphenyl bisanilide ligand, two Dy(III) complexes [K(DME)<sub>x</sub>][L<sup>Ar</sup>Dy(X)<sub>2</sub>] (L<sup>Ar</sup> = {C<sub>6</sub>H<sub>4</sub>[(2,6-<i><sup>i</sup></i>PrC<sub>6</sub>H<sub>3</sub>)NC<sub>6</sub>H<sub>4</sub>]<sub>2</sub>}<sup>2-</sup>), X = Cl (<b>1</b>) and X = I (<b>2</b>) were synthesized. The ligand imposes an unusual see-saw shaped molecular geometry leading to a coordinatively unsaturated complex with near-linear N-Dy-N (avg. 159.9° for<b>1</b> and avg. 160.3<sup>o</sup> for <b>2</b>) bond angles. These complexes exhibit Single-Molecule Magnet (SMM) behavior with significant uniaxial magnetic anisotropy as a result of the transverse coordination of the bisanlide ligand which yields high energy barriers to magnetic spin reversal of <i>U</i><sub>eff</sub> = 1334 K/ 927cm<sup>-1</sup> (<b>1</b>) and 1299 K/ 903 cm<sup>-1</sup> (<b>2</b>) in zero field. Magneto-structural correlations are discussed with the goal of finding a link between halide ancillary ligands in the structurally analogous complexes and the through barrier relaxation dynamics observed in the ac magnetic susceptibility, despite the similar dc magnetic susceptibility for compounds <b>1</b> and <b>2</b>. <i>Ab initio</i> calculations reveal that the dominant crystal field of the bisanilide ligand controls the orientation of the main magnetic axis which runs nearly parallel to the N-Dy-N bonds, and defines the height of the energy barrier. Thus, further validating the use of transverse ligands to enhance the SMM properties of Dy(III) ions.</p>

scholarly journals Gateway state-mediated, long-range tunnelling in molecular wires

Nanoscale ◽  
2018 ◽  
Vol 10 (6) ◽  
pp. 3060-3067 ◽  
Author(s):  
Sara Sangtarash ◽  
Andrea Vezzoli ◽  
Hatef Sadeghi ◽  
Nicolò Ferri ◽  
Harry M. O'Brien ◽  
...  
Keyword(s):  
Long Range ◽  
Single Molecule ◽  
Molecular Wires

Gateway states in Au/single-molecule/Au junctions profoundly attenuate the conductance decay with length for thiol-contacted alkyl-aromatic-alkyl systems.

Molecular Wires in Single-Molecule Junctions: Charge Transport and Vibrational Excitations

ChemPhysChem ◽  
2010 ◽  
Vol 11 (10) ◽  
pp. 2256-2260 ◽  
Author(s):  
Stefan Ballmann ◽  
Wolfgang Hieringer ◽  
Daniel Secker ◽  
Qinglin Zheng ◽  
John A. Gladysz ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Molecular Wires ◽  
Single Molecule Junctions ◽  
Vibrational Excitations

scholarly journals Solvent Dependence of the Single Molecule Conductance of Oligoyne-Based Molecular Wires

2015 ◽  
Vol 120 (29) ◽  
pp. 15666-15674 ◽  
Author(s):  
David C. Milan ◽  
Oday A. Al-Owaedi ◽  
Marie-Christine Oerthel ◽  
Santiago Marqués-González ◽  
Richard J. Brooke ◽  
...  
Keyword(s):  
Single Molecule ◽  
Molecular Wires ◽  
Solvent Dependence

scholarly journals Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal–metal interaction

2021 ◽  
Author(s):  
Yuya Tanaka ◽  
Yuya Kato ◽  
Kaho Sugimoto ◽  
Reo Kawano ◽  
Tomofumi Tada ◽  
...  
Keyword(s):  
Long Range ◽  
Single Molecule ◽  
Carrier Transport ◽  
Molecular Wires ◽  
Metal Interaction ◽  
Metal Metal ◽  
Single Molecule Junctions ◽  
High Conductance

Multinuclear organometallic molecular wires having (diethynylthiophene)diyl-Ru(dppe)2 repeating units show high conductance with small attenuation factors. The strong Ru–Ru interaction is the key for the long-range carrier transport.

Frontispiece: Inorganic and Organometallic Molecular Wires for Single-Molecule Devices

2017 ◽  
Vol 23 (20) ◽  
Author(s):  
Yuya Tanaka ◽  
Manabu Kiguchi ◽  
Munetaka Akita
Keyword(s):  
Single Molecule ◽  
Molecular Wires
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