scholarly journals Heterospin biradicals provide insight into molecular conductance and rectification

2017 ◽  
Vol 8 (8) ◽  
pp. 5408-5415 ◽  
Author(s):  
Martin L. Kirk ◽  
David A. Shultz ◽  
Jinyuan Zhang ◽  
Ranjana Dangi ◽  
Laura Ingersol ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Electronic Devices ◽  
Experimental Results ◽  
Triplet Ground State ◽  
Constant Bias ◽  
Device Geometry ◽  
Molecular Conductance ◽  
Insight Into

Properties of two isomeric triplet ground state biradical molecules, which serve as constant-bias analogs of single-molecule electronic devices, are described and experimental results are compared with transport calculations in a device geometry.

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.

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 Experimental study of the $ \gamma p \rightarrow K^{0}\Sigma^{+}$, $ \gamma n \rightarrow K^{0} \Lambda$, and $ \gamma n \rightarrow K^{0} \Sigma^{0}$ reactions at the Mainz Microtron

2019 ◽  
Vol 55 (11) ◽  
Author(s):  
C. S. Akondi ◽  
K. Bantawa ◽  
D. M. Manley ◽  
S. Abt ◽  
P. Achenbach ◽  
...  
Keyword(s):  
Experimental Study ◽  
Cross Sections ◽  
Differential Cross ◽  
Legendre Polynomials ◽  
Neutral Kaon ◽  
Experimental Results ◽  
Differential Cross Sections ◽  
Theoretical Predictions ◽  
Photoproduction Reactions ◽  
Insight Into

Abstract.This work measured $ \mathrm{d}\sigma/\mathrm{d}\Omega$dσ/dΩ for neutral kaon photoproduction reactions from threshold up to a c.m. energy of 1855MeV, focussing specifically on the $ \gamma p\rightarrow K^0\Sigma^+$γp→K0Σ+, $ \gamma n\rightarrow K^0\Lambda$γn→K0Λ, and $ \gamma n\rightarrow K^0 \Sigma^0$γn→K0Σ0 reactions. Our results for $ \gamma n\rightarrow K^0 \Sigma^0$γn→K0Σ0 are the first-ever measurements for that reaction. These data will provide insight into the properties of $ N^{\ast}$N* resonances and, in particular, will lead to an improved knowledge about those states that couple only weakly to the $ \pi N$πN channel. Integrated cross sections were extracted by fitting the differential cross sections for each reaction as a series of Legendre polynomials and our results are compared with prior experimental results and theoretical predictions.

Insight into the electronic, optical and transport nature of Al2CdX4 (X = S, Se and Te) employing the accurate mBJ approach: Novel materials for opto-electronic devices

2021 ◽  
Vol 135 ◽  
pp. 106098
Author(s):  
Muhammad Salman Khan ◽  
Banat Gul ◽  
Gulzar Khan ◽  
Benabdellah Ghlamallah ◽  
Shaukat Ali Khattak ◽  
...  
Keyword(s):  
Electronic Devices ◽  
Novel Materials ◽  
Insight Into

Single-Molecule Detection of Proteins Using Aptamer-Functionalized Molecular Electronic Devices

2011 ◽  
Vol 123 (11) ◽  
pp. 2544-2550 ◽  
Author(s):  
Song Liu ◽  
Xinyue Zhang ◽  
Wangxi Luo ◽  
Zhenxing Wang ◽  
Xuefeng Guo ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electronic Devices ◽  
Single Molecule Detection ◽  
Molecular Electronic ◽  
Molecular Electronic Devices

scholarly journals A Class of Non-Kekulé Molecules with Low Excitation Energies

2007 ◽  
Vol 62 (11) ◽  
pp. 1433-1436
Author(s):  
Fritz Dietz ◽  
Nedko Drebov ◽  
Nikolai Tyutyulkov
Keyword(s):  
Molecular Orbital ◽  
Ground State ◽  
Excitation Energies ◽  
Triplet Ground State ◽  
Molecular Systems ◽  
Structural Principle

A class of non-Kekulé molecular systems with a new structural principle and low excitation energies or with a triplet ground state was investigated theoretically. The systems consist of a non-Kekulé monoradical, possessing a non-bonding molecular orbital linked in a specific way to another monoradical.

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...

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