Can I get I-V characteristics of Organic Field effect transistors from Density Functional Theory?

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Traps in the disorder material, it is because of water, oxygen and some unwanted of gas? or any other cause?

I would like to know how traps are forming in the organic as well as inorganic materials.

31 December 2016 4,424 3 View

What is the unknown information that simulation can give an insight ? (In the context of Organic semiconductor devices)?

Generally why we are performing the simulation and what kind of information can be obtained and what is the unknown information that simulation can give an insight

07 August 2015 2,162 2 View

When metal and semiconductor are brought together, why is vacuum level shifting?

what is reason to shift the vacuum level when metal and semiconductor brought together

06 July 2015 4,638 10 View

Why organic semiconductors are called degenerate semiconductor and when inorganic semiconductors are become degenerate semiconductors?

I would like to know the difference of degeneracy of organic semiconductors and inorganic semiconductors

06 July 2015 8,551 0 View

Why organic semiconductors are called degenerate semiconductor and when inorganic semiconductors are become degenerate semiconductors?

I would like to know the difference of the degeneracy of both semiconductors (organic semiconductors and inorganic semiconductors)

06 July 2015 3,763 0 View

What is the physical significance of poisson, drift-diffusion, and continuity equations?

I would like to know the physical significance of Poisson, Drift-Diffusion and Continuity equations. If anybody knows please let me know ( File is attached)?

09 October 2014 1,465 12 View

What is the meaning of self consistent? How will it help in poisson, continuity equation?

See above.

08 September 2014 6,052 12 View

In a finite rectangular thin film the electric field is passing towards the Z-direction. Do you know how to determine the electric field?

I would like know how to determine the electric field if it is finite rectangular thin film .

06 July 2014 2,518 2 View

What is the difference between hoping and variable range hopping mechanism?

I would like to know more about both mechanisms in disorder materials

04 May 2014 6,301 5 View

Can we fabricate the Pentacene thin film as a single crystal?

I would like to fabricate the pentacene thin film as a single crystal. If anybody knows how to do it, please let me know.

03 April 2014 9,213 7 View

• What the possible Persistent Organic Pollutants and Heavy metals present in fluorspar, sediments, and water bodies around its mining area?

Approximate concentrations are require in compared with the WHO permissible limts

11 August 2024 2,723 1 View

Basis set and input instruction to calculate HOMO and LUMO using Orca for Imidazolium based organic salts?

Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...

09 August 2024 5,444 7 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

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09 August 2024 5,048 2 View

Request Python code?

Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!

08 August 2024 6,242 2 View

Is changing the medium during the experiment overestimate the results?

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Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

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Why does everyone use vs code?

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Should I include H atom into C3N5 when i am doing DFT modelling?

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07 August 2024 8,414 2 View

Separation of organic acids-HPLC?

Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.

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Are there any good simple systems or platforms to recommend?

In order to show people the beauty of control and enhance enthusiasm for learning control theories, are there any good simple systems or platforms to recommend?

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Alexander Kaiser

There are several programs capable of calculating I-V curves with DFT theory, however, in my experience, only rather small systems can be treated. I know of ATK, Qchem and Quantum Espresso.

Abir De Sarkar

You may use DFT coupled to NEGF, as implemented in TranSIESTA

Ajayakumar Kavala

@ Alexander Kaiser, Thank you so much

M A Askari

How can we apply gate voltage in transiesta for the study of transistors?