your videos are like an oasis to me. So helpful. Greatly appreciate for everything. Going through every on of your videos and just few are left! Hope you keep uploading your great lectures..
Special Thanks for your extraordinary effort on these tutorials. Sir could you please explain Where we need to create a supper cell for hetrostructure optimization and where not necessary?. your kind response will be greatly appreciated.
It's a great video! How close do you think the two layers should be to make a heterostructure if I make another heterostructure of my personal interest? How do we decide that? Thanks!
SHUBHAM PATEL - thanks. Check the space fill mode to see the vdw radius. They should approximately touch. In any case, geometry optimization is advise, which will help make that decision for you
Thank you for these tutorials, i wonder if you can make another video where you align MoS2 and WSe2 next to each other instead of being overlapped? or any hints on doing that? thank you
That points out the problem of the presented structure in this video. You shouldn't make a new averaged unit cell, but should simply add MoS2 and WSe2 phases with offset in z (two different lattice constants), and you'll see the moire pattern.
Respected Sir I did some first princilple calculations using VASP. The favorable site for atomic oxygen is in between two Al (Make bond with two Aluminium). Now I want to cover full surface of AlN with oxygen. Its not possible to adsorbed a lot of oxygen. So the solution is to make a a hetrostructue of oxygen layer and AlN surface. Kindly make a video How to make the layer of oxygen and then how to connect it with AlN surface.
Thanks for your efforts, am subscribed to your videos and i mostly use your sample models to reconstruct my structure but i have difficulty in modelling the Cu2O_111/Anatase_101 Heterostructure. i will be greatful if this tutorial can be of help to me. thanks
your videos are like an oasis to me. So helpful. Greatly appreciate for everything. Going through every on of your videos and just few are left! Hope you keep uploading your great lectures..
A real-time video is great because we would know what could go wrong and how to fix it. Very useful video, thank you!
Thanks - you’re the best!
Thanks for Your effort. Kindly Go ahead for such nice modelling. Kindly make some tutorial, How to apply strain to a mono layer?
Please, me too
i want to investigate the charge tranfer between metal and.polymer. what type of structure is helpful and how to make it
you are one of the heroes out there
Thank you!!
You deserve more than like
Hats raise to you
all the respect
Special Thanks for your extraordinary effort on these tutorials. Sir could you please explain Where we need to create a supper cell for hetrostructure optimization and where not necessary?.
your kind response will be greatly appreciated.
THis video is very helpful. But can we design a 2D material from the bulk?
also, make some video on the application of strain or any other force to monolayer
It's a great video!
How close do you think the two layers should be to make a heterostructure if I make another heterostructure of my personal interest? How do we decide that?
Thanks!
SHUBHAM PATEL - thanks. Check the space fill mode to see the vdw radius. They should approximately touch. In any case, geometry optimization is advise, which will help make that decision for you
@@nickelandcopper5636êw8td2ts
from where you had been taken that chemical structure initially
cif file, you will get it from online or from XRD
Thanks! What if the crystal structure in xy plane is not the same. How would you stack say hexagonal on top of orthorhombic lattice?
You’d have to find the the least common multiple of those lattice vectors. It is highly system dependent
I am trying to build a Cu-MoTe2 system, with Cu as the elctrodes. Can you show how to proceed with this?
Thank you for these tutorials, i wonder if you can make another video where you align MoS2 and WSe2 next to each other instead of being overlapped? or any hints on doing that? thank you
Yes that is possible. Try to super impose the two structures and delete half of the ones you don’t want. I may look into this one soon
@@nickelandcopper5636 Thank you for the reply, i will give it a try, yet it would be of a great help if you can make a dedicated video on that.
Please show how get a Moiré pattern
out these monolayer heterostructures.
Hi. I’m not sure exactly how to do that
That points out the problem of the presented structure in this video. You shouldn't make a new averaged unit cell, but should simply add MoS2 and WSe2 phases with offset in z (two different lattice constants), and you'll see the moire pattern.
very good presentation
Sir how to make composite oxides like BaTiO3/ZnO?
Respected Sir I did some first princilple calculations using VASP. The favorable site for atomic oxygen is in between two Al (Make bond with two Aluminium). Now I want to cover full surface of AlN with oxygen. Its not possible to adsorbed a lot of oxygen. So the solution is to make a a hetrostructue of oxygen layer and AlN surface.
Kindly make a video How to make the layer of oxygen and then how to connect it with AlN surface.
Nice. I am confused though. If one should not adsorb a lot of oxygen why make the full monolayer surface?
@@nickelandcopper5636 Sir I need to adsorb more. Mean to cover the full surface.
Great videos
Thanks!!
nice
How can open the Cartesian ? . The blue screen
F4
Kindly make video on junction X/Y/X please how to create junction using Vesta
Thanks for your efforts, am subscribed to your videos and i mostly use your sample models to reconstruct my structure but i have difficulty in modelling the Cu2O_111/Anatase_101 Heterostructure. i will be greatful if this tutorial can be of help to me. thanks
Hello sir
M still confused
So sorry to hear that. Did you happen to figure it out?
I'm in dire need of help