scholarly journals First Principle Study of Salinity Measurement by 2D Material

2021 ◽  
Vol 2021 ◽  
pp. 1-7
Author(s):  
Fan Jiang ◽  
Bo Hu ◽  
Weiguang Jia ◽  
Yi Zhou
Keyword(s):  
Electron Transport ◽  
Simple Model ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
First Principle ◽  
The Novel ◽  
2D Material ◽  
First Principle Calculations ◽  
Conductive Medium ◽  
Electron Transport Property

By using first principle calculations, a simple model of salinity sensor based on graphene electrode is constructed and its electron transport property is systematically investigated. It is found that all saltwater clusters at different salinity exhibit an obvious increase of the current while the saltwater to be detected is passing through the device. Moreover, only changing one Na atom acted as the conductive medium, and the electron transport behaviors could be clearly distinguished among the saltwater by negative differential resistance phenomenon, which demonstrates that the graphene-based salinity sensor could be capable of distinguishing saltwater at different salinity efficiently and accurately. This study provides a new path for the creation of the novel salinity sensor by graphene and other 2D material electrode.

THE INFLUENCE OF THE COUPLING STRENGTH ON THE ELECTRON TRANSPORT THROUGH THE BENZENE-1,4-DITHIOLATE MOLECULAR JUNCTION

2013 ◽  
Vol 27 (16) ◽  
pp. 1350121 ◽  
Author(s):  
YUNJIN YU ◽  
YAOYU LI ◽  
LANGHUI WAN ◽  
BIN WANG ◽  
YADONG WEI
Keyword(s):  
Electron Transport ◽  
Electronic Transport ◽  
Coupling Strength ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Resonant State ◽  
Differential Resistance ◽  
Stable Configuration ◽  
Molecular Junction ◽  
Aluminum Metal

The electronic transport properties of one benzene-1,4-dithiolate molecule coupled by two aluminum metal leads were investigated by using first-principles method. The influence of the coupling distance between the molecule and the electrodes on I–V curve was studied thoroughly. Our calculations showed that when the system is in the most stable configuration, where the system total energy is the lowest, and the electron transport is in off-resonant state. Starting from the most stable configuration, when we gradually increase the distance between the molecule and electrodes and so decreasing the coupling strength of the molecule and electrodes, the conductance, as well as the I–V curve, does not decrease immediately but increase quickly at first. Only when we separate the molecule and electrodes far enough, the current begins to drop quickly. The total scattering charge density was presented in order to understand this phenomenon. A one-level quantum dot model is used to explain it. Finally, negative differential resistance was observed and analyzed.

Perfect spin-filter, spin-valve, switching and negative differential resistance in an organic molecular device with graphene leads

RSC Advances ◽  
2014 ◽  
Vol 4 (36) ◽  
pp. 18522-18528 ◽  
Author(s):  
Yun Ni ◽  
Kai-lun Yao ◽  
Chao-qun Tang ◽  
Guo-ying Gao ◽  
Hua-hua Fu ◽  
...  
Keyword(s):  
Quantum Transport ◽  
Negative Differential Resistance ◽  
Spin Valve ◽  
Differential Resistance ◽  
First Principle ◽  
Molecular Device ◽  
Spin Filter ◽  
Multiple Effect ◽  
Valve Switching

A multiple-effect organic molecular device for spintronics is proposed by performing first-principle quantum transport calculations.

A First Principle Approach to Design Gated p-i-n Nanodiode

2015 ◽  
Vol 36 ◽  
pp. 16-30 ◽  
Author(s):  
Debarati Dey ◽  
Pradipta Roy ◽  
Tamoghna Purkayastha ◽  
Debashis De
Keyword(s):  
Molecular Orbital ◽  
Negative Differential Resistance ◽  
Density Functional ◽  
Tunneling Current ◽  
Differential Resistance ◽  
Thermal Coefficient ◽  
First Principle ◽  
Seebeck Coefficients ◽  
Principle Density Functional Theory ◽  
Green Function Approach

Thanks to the world of nanotechnology; it is possible to build molecular nanodevices. In this paper, GaAs single nanowire molecular p-i-n diode is designed and its electronic transmission properties, Local Device Density of States, Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital plot and Negative Differential Resistance property are investigated from the atomic perspective using first principle Density Functional Theory-Non Equilibrium Green Function approach. This molecular structure is built and simulated in Virtual nanoLab atmosphere. The Negative Differential Resistance of the device is revealed through the current-voltage characteristics of the nanowire. The band-to-band tunneling current is observed for this p-i-n junction nanodiode. Thermal coefficient, Peltier co-efficient, and Seebeck coefficients at different gate bias are obtained. This nanowire GaAs molecular diode is attractive for the next generation low power nanodevice design. Electrical doping effect has been introduced in the wire without adding unambiguous dopants to the molecular wire.

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