Sidra Jamil

3 Questions 4 Answers 0 Followers

Questions related from Sidra Jamil

How to calculate cation mixing (Ni in Li site) for NCA/NCM cathode material?

I did Rietveld refinement on GSAS. I want to calculate cation mixing i.e Ni present in Li sites after I finished the refinement. I've attached GSAS file for reference. Thank you.

09 June 2020 9,026 0 View

How to find the Bader charge of O atom in MO6 Octahedron (M=Ni or TM)?

I ran Bader analysis on VASP and I have ACF.dat file, I can see the charge value of different atoms according to my POSCAR. I also know the charge value for O atom but how can I find bader charge...

12 December 2019 5,040 3 View

The coin cell battery which I made is broken, what can be the reason behind that?

I'm making a coin cell battery using NCA as cathode and Li metal as anode. I connected it to check the electrochemical performance but during the first cycle it broke and discharge capacity...

11 October 2019 3,270 5 View