Current‐voltage characteristics of molecular wires: Eigenvalue staircase, Coulomb blockade, and rectification

1996 ◽  
Vol 104 (18) ◽  
pp. 7296-7305 ◽  
Author(s):  
Vladimiro Mujica ◽  
Mathieu Kemp ◽  
Adrian Roitberg ◽  
Mark Ratner
Keyword(s):  
Coulomb Blockade ◽  
Molecular Wires ◽  
Current Voltage ◽  
Current Voltage Characteristics

THE EFFECT OF METAL-MOLECULE NANO-CONTACTS WITH DIFFERENT END GROUPS IN MOLECULAR ELECTRONICS

2009 ◽  
Vol 23 (30) ◽  
pp. 5657-5669 ◽  
Author(s):  
SEIFOLLAH JALILI ◽  
ABDOLHAKIM PANGH
Keyword(s):  
Electron Transport ◽  
Molecular Electronics ◽  
Atomic System ◽  
Transmission Function ◽  
Molecular Wires ◽  
Atomic Systems ◽  
Current Voltage ◽  
Electron Transport Properties ◽  
Current Voltage Characteristics ◽  
Function Density

We investigated the electron transport properties of thiophen-bithiol-based molecular wires through atomic metal–thiophen–metal systems using the first principle methods. Various metal–thiophen–metal atomic systems are constructed with different end atoms (S, Se, and Te). The electron transport of the atomic system is systematically studied by analysis of transmission function, density of states, and current–voltage characteristics of the systems.

scholarly journals Calculation of CO adsorption capacity of single iron(II)- porphyrin and related electron transfer behavior by DFT theory

2020 ◽  
Author(s):  
Placido G. Mineo
Keyword(s):  
Density Functional ◽  
Co Adsorption ◽  
Molecular Wires ◽  
Molecular Wire ◽  
Dft Theory ◽  
Functional Theory ◽  
Current Voltage ◽  
End Groups ◽  
Transfer Behavior ◽  
Current Voltage Characteristics

The effect of CO adsorption on the electron transport behavior of single iron(II)-porphyrin molecular wire with sulfur end groups bonded to two gold electrodes isinvestigated using nonequilibrium Green's function formalism combined with firstprinciples density functional theory. The current-voltage characteristics of the singleFe-porphyrin molecular wires with and without CO adsorption are calculated. Theresults demonstrate that Fe-porphyrin molecular wire shows a negative differentialresistance (NDR) at 2.0 V

Negative differential resistance in “sulflower”-based molecular junction predicted by first-principles study

2021 ◽  
pp. 2150167
Author(s):  
Ji-Mei Shen ◽  
Jing Liu
Keyword(s):  
First Principles ◽  
Coulomb Blockade ◽  
Negative Differential Resistance ◽  
Local Density ◽  
Differential Resistance ◽  
Differential Conductance ◽  
First Principles Study ◽  
Current Voltage ◽  
Potential Applications ◽  
Current Voltage Characteristics

The electronic transport behavior of a sulflower molecule sandwiched between metal leads by S atom connecting apex Au or Ag atoms was investigated using a first-principles study by current-voltage characteristics, transmission spectrum and local density of states. Negative differential resistance (NDR) effect which originates from Coulomb blockade driven by bias was obtained. We also found that the differential conductance can be modulated by the metal leads with different work functions, which promise the potential applications in molecular devices in the future.

Quantum Description of a Degenerate P-N Junction Coupled to an Electrical Circuit

1998 ◽  
Vol 12 (24) ◽  
pp. 2513-2540 ◽  
Author(s):  
W. H. Richardson
Keyword(s):  
Coulomb Blockade ◽  
Particle Interaction ◽  
Electrical Circuit ◽  
The Novel ◽  
Current Voltage ◽  
Current Voltage Characteristics ◽  
The Many ◽  
Analytical Expressions ◽  
Approximate Expressions ◽  
Temperature Green’S Functions

A theory of Coulomb blockade of tunneling in a degenerate p-n junction is presented. Perturbation theory and temperature Green's functions are used to obtain the current–voltage characteristics. The formulation extends the theory of Coulomb blockade in MIM junctions, to junctions in which the characteristics of the device, is partly determined by the many particle interaction in the electrodes. Exact analytical expressions for the I-V at zero temperature and approximate expressions at nonzero temperatures are obtained. Among the novel features observed are: an asymmetry in the current–voltage characteristics even for voltages on the scale of the Coulomb blockade threshold and threshold like behavior below (e/2C).

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