How to find whether the compound is P-type or n-type semi-conductor.? Ex: Co3O4. How to determine it theoritically

More Sai Pranav Vanam's questions See All

Can we do background subtraction after refinement in FULLPROF?

I have done refinement using FULLPROF, is it possible to do background correction after refinement like in GSAS.?

05 June 2019 2,165 2 View

How to install Rietan-FP(for analysing PXRD) in windows operating system.?

I have downloaded Rietan-FP from http://fujioizumi.verse.jp/download/download_Eng.html I am finding trouble to install in PC.

10 November 2018 2,037 4 View

Why single crystal XRD data is 3D where as Powder XRD data is 1D.?

I am not able to understand why the data we get from single crystal XRD is 3D where as from powder XRD is 1D.? How did we define it as 1D and 3D.?

02 March 2018 6,726 2 View

How to find the delta G of the material having polymorphic change either same crystal system (i.e., different space group) or different ?

I am having a material which changes from one space group to another with change in temperature. I would like to how to calculate the free energy (delta G) change as a function of temperature and...

01 February 2018 5,944 4 View

Can we predict the occupancy by using Rietvleld method from the powder diffaction XRD data.?

I have done the Rietveld analysis of a oxide sample by using fullprof. The initial given occupancy values are much different than the obtained values after Rietveld. So, my doubt is, whether can...

03 April 2017 5,930 7 View

Can we find the Position of atoms by using XRD data.?

Like say TiO2. we can find a,b,c, angles, structure,space group from XRD. but can we find the position of Ti,O in the unit cell..?

01 January 1970 7,004 11 View

My 2nd Discharge in Lithium air(Li-O2) battery is not efficient as that of 1st..? Why..?

I am using Co3O4 as Catalyst for Li-air battery. 1st discharge is aroung 1.4mAh but 2nd discharge is cut to more than half. I dont understand the reason. Please can anyone give me where I am going...

01 January 1970 5,641 5 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 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

What is the most Operating System (OS) which can be INSTALL on Tiny hard devices like Raspberry Pi (RPi) hardware ?

I'm targeting to deploy a mesh network and manually configure MANET routing protocols. I'm preparing scenarios, architectures, and hard devices needed to do that. Are there some step-by-step...

03 March 2021 1,931 5 View

Mohammad E. Ghazi

Hi, In DFT calculation by calculating the band structure it is possible. If the fermi level is close to the CB, the compound is n-type and if is closer to the VB, P-type

Peter Schindler

Check out this project: https://materialsproject.org/

It gives a wide variety of material properties of potential new compounds.