How to calculate the band edge positions of a semiconductor using DFT?

WS2 is a semiconductor with band gap more than 2eV. I have calculated the band structure of this system in which the VBM (valence band maximum) is set at 0 eV and CBM (conduction band minimum)...

07 August 2016 6,180 3 View

Where to find basis set functions in vasp?

07 August 2016 9,045 0 View

What is the significance of static dielectric constant?

what is the difference between static and high frequency dielectric constant. What role these constants play in the electronic devices?

31 December 2015 5,407 6 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How to check the uv-vis absorption of nanoparticle by surface plasmon resonance?

I try to check the uv-vis absorption of Indium nanoparticle. Now I am measuring in solution, can I measure it in the form of a film?

01 March 2021 930 3 View

How to modify Johnson cook equation in ABAQUS?

I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...

28 February 2021 4,841 3 View

Mediation path analysis - Can I run two seperate models?

I am wanting to run a serial mediation model with 2 x IVs, 2 x MVs, and 3 DPs (all continuous). Is it problematic to run 2 different models for each IV, keeping the MVs and DPs the same in each...

27 February 2021 5,681 3 View

Why initial concentration of Pb not the same as calculated one when testing using AAS?

I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...

26 February 2021 9,580 4 View

Bayesian decision trees and bayesian regression trees in Python and/or R?

I am looking for implementation of bayesian decision trees and bayesian regression trees in Python and/or R.. Do you know if the existing libraries support this

23 February 2021 6,689 3 View

Is this the write procedure for acid digestion of soil for heavy metal analysis using AAS?

How to do acid digestion of soil sample with 3:1 aquaregia in an open vessel?

23 February 2021 3,053 7 View

Can a semi-conductor material have different absorption coefficient?

Does the absorption coefficient of the semiconductor changes with the change in the structure of the semiconductor? If you have a thin film and nanowire of the same semiconductor, will the...

23 February 2021 9,799 4 View

Physical-chemical formation of stalactites/stalagmites. what promotes the formation/growth of these structures?

I know, or think I do, the basic idea behind these natural structures, as from what I know they form due to water dripping from the top leaving a salt deposit behind. But started to wonder about...

22 February 2021 1,400 4 View

Is there a suitable way to confine cell attachment area inside a multi-well plate?

Are there any types of cylindrical cell culture inserts that are designed to confine cell seeding area? Say, if I'm using a 12 well plate (3.5 cm^2/well), but only want to seed cells in the middle...

22 February 2021 7,127 4 View