What type of analysis we can do to except band gap measurement using UV-visible spectroscopy?

I would like to do first principle studies(using DFT) for this technique to compare experimental and theoretical value. Thank you.

09 October 2014 1,699 3 View

How to study the Dielectric and Ferroelectric properties using PwScf calculations?

I am good at DOS, Band structure and phonon studies. I would like to extend my studies to Dielectric and Ferroelectric studies. How to find the polarization in the material?

07 August 2014 9,925 5 View

Does any one have Video lecture on Rietveld Refinement using Fullproof Software?

07 August 2014 5,161 0 View

Which software is better for refinement either Fullproof or Maud?

06 July 2014 7,640 5 View

What is the good software for nonlinear curve fitting rather than Excel and Origin?

What is the good software for nonlinear curve fitting rather than Excel and Origin?

04 May 2014 9,086 10 View

Does anyone know about DFT summer schools?

I want to attend DFT summer schools. If anyone knows please let me know the details. Is there any website for DFT related schools?

02 March 2014 9,885 0 View

How can we determine if a material is an Insulator or a Semiconductor?

My material band gap is 2.86 eV. I am confused as to how to confirm whether it is a Insulator or Semiconductor. In literature it has not been made clear.

01 February 2014 9,883 10 View

Can any one help with dielectric relaxation and conductivity studies?

I am new to this area. I would like to study these concepts from beginning onwards.

11 December 2013 3,487 9 View

I would like to know the ferroelectric perovskites names and their spontaneous polarization?

I would like to know the ferroelectric perovskites names and their spontaneous polarization.Could you suggest me any book or website?

10 November 2013 1,448 7 View

Vibrational frequencies - can anyone help?

How to find the vibrational frequencies using Pwscf? I have taken Experimental Raman spectrum. I have to assign the modes (A1g, B1u,B2g and A2g etc) for each peak in spectrum. Example given below.

10 November 2013 5,935 25 View

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

What is the density for pva electrospining?

I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...

28 February 2021 298 3 View

Should we reduce the standard unit of length to 0.31951540592 meter ?

The reasoning behind this question is to align the ratios of the proton potential in energy per charge to the speed of light in distance per time. As these two dimensions appear to be related,...

27 February 2021 947 7 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

How do you mesh a thin solid in Fluent?

Hello, I have used the shell function on SpaceClaim to create thin solids for the model I am studying. These are contained within an enclosure for my study. I chose this approach as it avoids the...

24 February 2021 8,856 3 View