Reversible Switching of Molecular Conductance in Viologens is Controlled by the Electrochemical Environment

2021 ◽  
Vol 125 (40) ◽  
pp. 21862-21872
Author(s):  
Jialing Li ◽  
Sanja Pudar ◽  
Hao Yu ◽  
Songsong Li ◽  
Jeffrey S. Moore ◽  
...  
Keyword(s):  
Molecular Conductance

scholarly journals Mechanical single-molecule potentiometers with large switching factors from ortho-pentaphenylene foldamers

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jinshi Li ◽  
Pingchuan Shen ◽  
Shijie Zhen ◽  
Chun Tang ◽  
Yiling Ye ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Helical Structures ◽  
Anchoring Groups ◽  
Molecular Conductance ◽  
And Control ◽  
Helical Molecules ◽  
Shed Light

AbstractMolecular potentiometers that can indicate displacement-conductance relationship, and predict and control molecular conductance are of significant importance but rarely developed. Herein, single-molecule potentiometers are designed based on ortho-pentaphenylene. The ortho-pentaphenylene derivatives with anchoring groups adopt multiple folded conformers and undergo conformational interconversion in solutions. Solvent-sensitive multiple conductance originating from different conformers is recorded by scanning tunneling microscopy break junction technique. These pseudo-elastic folded molecules can be stretched and compressed by mechanical force along with a variable conductance by up to two orders of magnitude, providing an impressively higher switching factor (114) than the reported values (ca. 1~25). The multichannel conductance governed by through-space and through-bond conducting pathways is rationalized as the charge transport mechanism for the folded ortho-pentaphenylene derivatives. These findings shed light on exploring robust single-molecule potentiometers based on helical structures, and are conducive to fundamental understanding of charge transport in higher-order helical molecules.

scholarly journals Transferrable property relationships between magnetic exchange coupling and molecular conductance

2020 ◽  
Vol 11 (42) ◽  
pp. 11425-11434
Author(s):  
Martin L. Kirk ◽  
Ranjana Dangi ◽  
Diana Habel-Rodriguez ◽  
Jing Yang ◽  
David A. Shultz ◽  
...  
Keyword(s):  
Exchange Coupling ◽  
Semiquinone Radical ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Coupling Parameters ◽  
Molecular Conductance

Calculated conductance through Aun–S–Bridge–S–Aun constructs are compared to experimental magnetic exchange coupling parameters in TpCum,MeZn(SQ–Bridge–NN) complexes, where SQ = semiquinone radical and NN = nitronylnitroxide radical.

The Quantum Length Dependence of Conductance in Molecular Device: An Ab Initio Study

2010 ◽  
Vol 663-665 ◽  
pp. 519-522
Author(s):  
Cai Juan Xia ◽  
Han Chen Liu ◽  
Ying Tang Zhang
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Molecular Device ◽  
Functional Theory ◽  
Length Dependence ◽  
Molecular Conductance ◽  
Homo Lumo ◽  
Molecular Compounds

By Applying Nonequilibrium Green’s Function Formalism Combined First-Principles Density Functional Theory, we Investigate the Electronic Transport Properties of Thiophene and Furan Molecules with Different Quantum Length. the Influence of HOMO-LUMO Gaps and the Spatial Distributions of Molecular Orbitals on the Electronic Transport through the Molecular Device Are Discussed in Detail. the Results Show that the Transport Behaviors Are Determined by the Distinct Electronic Structures of the Molecular Compounds. the Length Dependence of Molecular Conductance Exhibits its Diversity for Different Molecules.

Substitution Pattern Controlled Charge Transport in BN-Embedded Aromatics-Based Single-Molecule Junctions

2021 ◽  
Author(s):  
Hongxiang Li ◽  
Rui Wang ◽  
Kai Song ◽  
Caiyun Wei ◽  
Wenjing Hong ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Molecular Devices ◽  
Substitution Pattern ◽  
Single Molecule Level ◽  
Single Molecule Junctions ◽  
Molecular Conductance

The understanding of charge transport at single-molecule level is a pre-requisite for the fabrication of molecular devices. Here, we systematically investigate the relation among molecular conductance, substitution pattern and stimuli...

Molecular Conductance Switch-On of Single Ruthenium Complex Molecules

2008 ◽  
Vol 130 (8) ◽  
pp. 2553-2559 ◽  
Author(s):  
Kyoungja Seo ◽  
Alexander V. Konchenko ◽  
Junghyun Lee ◽  
Gyeong Sook Bang ◽  
Hyoyoung Lee
Keyword(s):  
Ruthenium Complex ◽  
Complex Molecules ◽  
Molecular Conductance

Molecular Conductance of Nicked Nucleic Acid Duplexes

2018 ◽  
Vol 122 (13) ◽  
pp. 7533-7540 ◽  
Author(s):  
Edward Beall ◽  
Artur Sargun ◽  
Selma Ulku ◽  
Yookyung Bae ◽  
Emil Wierzbinski ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Molecular Conductance

scholarly journals Predicting the conductance of strongly correlated molecules: the Kondo effect in perchlorotriphenylmethyl/Au junctions

Nanoscale ◽  
2018 ◽  
Vol 10 (37) ◽  
pp. 17738-17750 ◽  
Author(s):  
W. H. Appelt ◽  
A. Droghetti ◽  
L. Chioncel ◽  
M. M. Radonjić ◽  
E. Muñoz ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Perturbation Theory ◽  
First Principles ◽  
Density Functional ◽  
Kondo Effect ◽  
Strongly Correlated ◽  
Functional Theory ◽  
Molecular Conductance ◽  
Non Equilibrium

We predict the non-equilibrium molecular conductance in the Kondo regime from first principles by combining density functional theory with the renormalized super-perturbation theory.

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