Hello Mohd Shoeb Khan

This is something very individually for your application. There are guides that can show you how to do:

https://www.youtube.com/watch?v=5Xepnh2tstQ&t=71s

I came up with this short guide I wrote in txt, a CIF file of MnO2 and its correspondent to a monolayer.

Feel free to ask for help if something is not clear.

Best regards

Ricardo Tadeu.

Firstly i would like to thank you Ricardo Tadeu Maia for considering my problem .. Could you please tell me that the VASP file of MnO2 u have provided, is that the monolayer file complete itself or i have to made the complete structure file ?

Thanks !

I want to make a 2D heterostructre of graphene monolayer+MnO2 monolayer as an composite electrodes for Supercapacitor . Can u please guide me how to make this heterostructure file or if possible please provide me the file . I will sincerely consider your help

Hello Mohd Shoeb Khan

I am sorry, I uploaded the wrong file last time. I am uploading now the correct monolayer of MnO2. I took a while to learn how to do a 2D heterostructure, but I think I got it now. I made this instructions for a heterostructure based on this video:

https://www.youtube.com/watch?v=2hgnFs8eNfw&list=PL-hN8vfRaU7hCPfRqo3HrqkIgFxsxHYNx&index=9

So, I made a heterostructure as I thought it was correct. Following this method, you can build whatever you want.

Please, let me know if this works for you.

Bests

Ricardo Tadeu

Thanks for providing me the structural file . surely it will help me out.

Ricardo Tadeu Maia

Hello , The file u have provided me earlier i am unable to generate the proper pdb file of MnO2 for MD Simulation . Can u please arrange it for me or provide me the source from where i can get it or generate the file .