Current rectification by asymmetric molecules: An <i>ab initio</i> study

Zhou, Yanhong; Zheng, Xiaohong; Xu, Ying; Zeng, Zhongming

doi:10.1063/1.2409689

Cited by 35 publications

(14 citation statements)

References 34 publications

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“…Within the last decade, Kornilovitch et al, 33 Bratkovsky et al, 34 Liu et al, 35 Xu et al, 36 and Stokbro, 33 have suggested that a D-σ-A structure is not required for molecular rectification, but that rectification can be achieved with a single, localized, accessible Recently, we and others have realized an experimental demonstration of a rectifier that incorporates a ferrocene group-S(CH 2 ) 11 Fc (Fc = ferrocene)-and have given evidence that the rectification has a molecular origin 23 and is dependent on asymmetric placement of the Fc moiety between the electrodes. alkanethiols (used as controls).…”

Section: Iii) Potential For Redoxmentioning

confidence: 99%

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions

et al. 2012

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Abstract:The liquid-metal eutectic of gallium and indium (EGaIn) is a useful electrode for making soft electrical contacts to self-assembled monolayers (SAMs). This electrode has, however, one feature whose effect on charge transport has been incompletely understood: a thin (approximately 0.7 nm) film-consisting primarily of Ga 2 O 3 -that covers its surface when in contact with air. SAMs that rectify current have been measured using this electrode in Ag TS -SAM//Ga 2 O 3 /EGaIn junctions. This paper organizes evidence, both published and unpublished, showing that the molecular structure of the SAM (specifically, the presence of an accessible molecular orbital asymmetrically located within the SAM), not the difference between the electrodes or the characteristics of the Ga 2 O 3 film, causes the observed rectification. By examining and ruling out potential mechanisms of rectification that rely either on the Ga 2 O 3 film, or on the asymmetry of the electrodes, this paper demonstrates that the structure of the SAM dominates charge transport through Ag TS -SAM//Ga 2 O 3 /EGaIn junctions, and that the electrical characteristics of the Ga 2 O 3 film have a negligible effect on these measurements.3

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Section: Iii) Potential For Redoxmentioning

confidence: 99%

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions

et al. 2012

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“…The conductance of stilbene at E F decreases exponentially as the gold electrodes length increases. An exponential decrease of conductance with an increasing length of an electrode has been reported in the literature [52]. Therefore, a suitable length of Au-electrode must be selected to explore the transport characteristics of a stilbene device.…”

Section: Transport Properties Of Sms Devicementioning

confidence: 97%

Switching behaviour of stilbene molecular device: a first-principles study

Nagarajan¹,

Chandiramouli²

2018

Condens. Matter Phys.

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The switching behaviour of stilbene molecular system (SMS) device is investigated with the help of non-equilibrium Green's function (NEGF) approach using first principles calculation. The transmission spectrum of cisisomers confirmed that more electrons are transferred across the SMS-device using optical excitation by the spin of C=C bond by torsion angle (θ = 180 • ). The current-voltage characteristics show the lower magnitude of current for trans-stilbene and higher magnitude of current for cis-stilbene for an externally applied bias voltage. The outcome of the proposed work suggests that cis and trans-stilbene molecular device can be used as a switch.

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“…Charged amino acids are the major determinants of the recti cation of gap junctional channel [19] and short-range ET and ETp [20]. Current recti cation is observed in asymmetric molecule structures [21][22][23][24] and due to the moleculeelectrode coupling [25].…”

Section: Introductionmentioning

confidence: 99%

Elucidating Multiple Negative Differential Resistance and Rectification Ratio Through L-Aspartic Acid at Nanometre Scale Using Symmetrical Metal Electrodes

Sikri

Sawhney

2021

Preprint

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Protein-based electronics is one of the growing areas of bio-nanoelectronics, where novel electronic devices possessing distinctive properties, are being fabricated using specific proteins. Furthermore, if the bio-molecule is analysed amidst different electrodes, intriguing properties are elucidated. This research article investigates the electron transport properties of L-aspartic acid (i.e., L-amino acid) bound to symmetrical electrodes of gold, silver, copper, platinum and palladium employing NEGF-DFT approach using self-consistent function. The theoretical work function of different electrodes is calculated using local density approximation and generalized gradient approximation approach. The calculated work function correlates well with the hole tunnelling barrier and conductance of the molecular device, which further authenticate the coupling strength between molecule and electrode. Molecule under consideration also exhibits the multiple negative differential resistance and rectification ratio with all the different electrodes, due to its asymmetrical structure. The molecular device using platinum electrodes exhibits the highest peak to valley ratio of 1.38 and rectification ratio of 3.20, at finite bias. The switching characteristics of different molecular device are justified with detailed transmission spectra and MPSH. These results indicate that L-aspartic acid and similar biomolecule can be vital to the growth of Proteotronics.

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Current rectification by asymmetric molecules: An ab initio study

Cited by 35 publications

References 34 publications

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions

Switching behaviour of stilbene molecular device: a first-principles study

Elucidating Multiple Negative Differential Resistance and Rectification Ratio Through L-Aspartic Acid at Nanometre Scale Using Symmetrical Metal Electrodes

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Current rectification by asymmetric molecules: An ab initio study

Cited by 35 publications

References 34 publications

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga2O3/Gallium–Indium Eutectic Junctions

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga2O3/Gallium–Indium Eutectic Junctions

Switching behaviour of stilbene molecular device: a first-principles study

Elucidating Multiple Negative Differential Resistance and Rectification Ratio Through L-Aspartic Acid at Nanometre Scale Using Symmetrical Metal Electrodes

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The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions

The SAM, Not the Electrodes, Dominates Charge Transport in Metal-Monolayer//Ga₂O₃/Gallium–Indium Eutectic Junctions