Augmenting Molecular Junctions with Different Transition Metal Contacts

2013 ◽  
Vol 05 (02) ◽  
pp. 1350009 ◽  
Author(s):  
Rupan Preet Kaur ◽  
Ravinder Singh Sawhney ◽  
Derick Engles
Keyword(s):  
Electron Transport ◽  
Nanometer Scale ◽  
Metal Contacts ◽  
Transport Parameters ◽  
Empirical Modelling ◽  
Copper Electrodes ◽  
Electron Transport Properties ◽  
Semi Empirical ◽  
Maximum Conductance ◽  
Modelling Approach

In this research paper, the effect of the material of electrodes at the nanometer scale was elucidated towards measuring the electron transport properties of a single molecular junction comprising of anthracenedithiol molecule (ADT) stringed to two semi-infinite metallic electrodes using Extended Huckle Theory (EHT)-based semi-empirical modelling approach. The electron transport parameters i.e., I–V curves, Conductance-Voltage curves and transmission spectrum were investigated through ADT molecule by buffering it between different electrodes composed of rhodium, palladium, nickel and copper, all from transition metals series, under finite bias voltages within Keldysh's non equilibrium green function formulism (NEGF). The simulated results revealed that the copper electrodes showed maximum conduction whereas palladium showed least. The maximum conductance of 0.82 G0 and 43 μA current was exhibited by copper and thus affirmed to be the most effective electrode at nanometre scale when compared with other electrodes viz. nickel, rhodium and palladium.

AROMATIC MOLECULAR JUNCTIONS WITH INERT GASES AS ALLIGATOR CLIPS

2012 ◽  
Vol 04 (04) ◽  
pp. 1250015 ◽  
Author(s):  
RUPAN PREET KAUR ◽  
RAVINDER SINGH SAWHNEY ◽  
DERICK ENGLES
Keyword(s):  
Noble Gas ◽  
Inert Gases ◽  
Nanometer Scale ◽  
Gold Electrodes ◽  
Transport Parameters ◽  
Anthracene Molecule ◽  
Nonequilibrium Green Function ◽  
Semi Empirical ◽  
Helium Neon ◽  
Maximum Conductance

In this research paper, we examined the effect of placing the elements of Group 0 as alligator clips with Anthracene molecule binding gold electrodes on the nanometer scale using Extended Huckle Theory (EHT) based semi-empirical model. The electron transport parameters i.e., I-V curves, Conductance-Voltage curves and transmission spectrum were investigated through Anthracene molecule by buffering it between two semi-infinite gold electrodes but via different alligator clips-Helium, Neon, Argon, Krypton, Xenon and Radon, all from Noble gas group or group-0 under finite bias voltages within Keldysh's nonequilibrium green function formalism (NEGF). The simulated results revealed that the Xenon and Radon showed maximum conduction whereas Krypton, Neon, Helium and Argon showed least. The maximum conductance of 0.62G0 and 70.4 μA current was exhibited by Xenon and thus affirmed to be the most optimal alligator clip amongst noble gases at nanometre scale.

Proliferating conduction by isomerism

2015 ◽  
Vol 04 (04) ◽  
pp. 1550024 ◽  
Author(s):  
Rupan Preet Kaur ◽  
Ravinder Singh Sawhney ◽  
Derick Engles
Keyword(s):  
Electron Transport ◽  
Electrical Conduction ◽  
Empirical Model ◽  
Research Work ◽  
Gold Electrodes ◽  
Transport Parameters ◽  
Hückel Theory ◽  
Anthracene Molecule ◽  
Semi Empirical ◽  
Maximum Conductance

The electrical conduction of isomers of anthracene molecule attached between two semi-infinite gold electrodes was simulated using extended Huckel theory (EHT)-based on semi-empirical model in this research work. The electron transport parameters were examined in two epochs by buffering anthracene and its isomer phenanthrene alternatively between gold electrodes using sulphur as an alligator clip, under variegated bias voltages. Differential NDR effect was observed in both the cases but phenanthrene exhibited more linear I–V curve than its counterpart, anthracene. The simulated results discovered phenanthrene as a better candidate than anthracene towards contributing to electrical conduction in molecular junctions. Phenanthrene reported maximum conductance of 0.74G0 whereas anthracene exhibited 0.03[Formula: see text]G0 at 0.8[Formula: see text]V.

Interception of radionuclides by planophile crops: A simple semi-empirical modelling approach in case of nuclear accident fallout

2020 ◽  
Vol 266 ◽  
pp. 115308
Author(s):  
A. Cristina ◽  
R. Samson ◽  
N. Horemans ◽  
M. Van Hees ◽  
J. Wannijn ◽  
...  
Keyword(s):  
Nuclear Accident ◽  
Empirical Modelling ◽  
Semi Empirical ◽  
Modelling Approach

scholarly journals Review of a Semi-Empirical Modelling Approach for Cohesive Sediment Transport in River Systems

Water ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 256
Author(s):  
Bommanna G. Krishnappan
Keyword(s):  
Shear Stress ◽  
Sediment Transport ◽  
Critical Shear Stress ◽  
Cohesive Sediment ◽  
River Systems ◽  
Empirical Modelling ◽  
Cohesive Sediment Transport ◽  
Definition Of ◽  
Semi Empirical ◽  
Modelling Approach

In this paper, a review of a semi-empirical modelling approach for cohesive sediment transport in river systems is presented. The mathematical modelling of cohesive sediment transport is a challenge because of the number of governing parameters controlling the various transport processes involved in cohesive sediment, and hence a semi-empirical approach is a viable option. A semi-empirical model of cohesive sediment called the RIVFLOC model developed by Krishnappan is reviewed and the model parameters that need to be determined using a rotating circular flume are highlighted. The parameters that were determined using a rotating circular flume during the application of the RIVFLOC model to different river systems include the critical shear stress for erosion of the cohesive sediment, critical shear stress for deposition according to the definition of Partheniades, critical shear stress for deposition according to the definition of Krone, the cohesion parameter governing the flocculation of cohesive sediment and a set of empirical parameters that define the density of the floc in terms of the size of the flocs. An examination of the variability of these parameters shows the need for testing site-specific sediments using a rotating circular flume to achieve a reliable prediction of the RIVFLOC model. Application of the model to various river systems has highlighted the need for including the entrapment process in a cohesive sediment transport model.

Pressure-induced pH changes in aqueous solutions – On-line measurement and semi-empirical modelling approach

2011 ◽  
Vol 56 (1) ◽  
pp. 6-13 ◽  
Author(s):  
Daniele Bortoluzzi ◽  
Claudio Cinquemani ◽  
Elisa Torresani ◽  
Sara Spilimbergo
Keyword(s):  
Aqueous Solutions ◽  
Empirical Modelling ◽  
Ph Changes ◽  
Line Measurement ◽  
On Line ◽  
Semi Empirical ◽  
Modelling Approach

Magnetic and electron transport properties of Co2Si nanomagnets

2021 ◽  
Vol 5 (2) ◽  
Author(s):  
Balamurugan Balasubramanian ◽  
Tom A. George ◽  
Priyanka Manchanda ◽  
Rabindra Pahari ◽  
Ahsan Ullah ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Electron Transport Properties

Printable Single-Unit-Cell-Thick Transparent Zinc-Doped Indium Oxides with Efficient Electron Transport Properties

ACS Nano ◽  
2021 ◽  
Author(s):  
Azmira Jannat ◽  
Nitu Syed ◽  
Kai Xu ◽  
Md. Ataur Rahman ◽  
Md. Mehdi Masud Talukder ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Single Unit ◽  
Unit Cell ◽  
Electron Transport Properties ◽  
Indium Oxides

In-situ photoconductivity measurement of imidazole in optical fiber break-junctions

2021 ◽  
Author(s):  
Zhikai Zhao ◽  
Chenyang Guo ◽  
Lifa Ni ◽  
Xueyan Zhao ◽  
Surong Zhang ◽  
...  
Keyword(s):  
Electron Transport ◽  
Optical Fiber ◽  
Transport Properties ◽  
Molecular Junctions ◽  
Break Junction ◽  
Break Junctions ◽  
Fiber Break ◽  
Electron Transport Properties ◽  
Photoconductivity Measurement

We develop a method based on the mechanically controllable break junction technique to investigate the electron transport properties of single molecular junctions upon fiber waveguided light. In our strategy, a...

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