Creating vdW heterostructures and heterojunctions with VESTA and BURAI GUI for Quantum ESPRESSO

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MatSci-eTalks

MatSci-eTalks

3 жыл бұрын

In this tutorial I have shown how you can create a MoS2-WS2 vdWh and also a planar heterostructure for calculations.
Speaker: Dr. Amretashis Sengupta
Website: sites.google.com/site/ascnel2...

Пікірлер: 9
@HIRENP
@HIRENP 3 жыл бұрын
Sir, Thank you for this great explanation , keep it up. Nice video
@rajupdl6
@rajupdl6 3 жыл бұрын
Thank you sir for your details explanation of how to make heterostructure using VESTA. In the subsequent computational material series, I would request you do video of how to apply strain for varying lattice constant and optimization of bilayer vdwh. Thank you
@gxstudio4208
@gxstudio4208 3 жыл бұрын
Thank you for this tutorial, could you please show us the other case( mismatched lattice materials). something like SnO2/Si
@kriteshgupta7380
@kriteshgupta7380 3 жыл бұрын
Thank you Sir, your content is so good for the beginners like me. Please do make one video on modelling twisted bilayer graphene using the CIF files available on the web.
@SantoshKumarBehara
@SantoshKumarBehara 3 жыл бұрын
Thank you for this valuable information. Could you please do a video on Nudged Elastic Band (NEB) calculations?
@matsci-etalks5994
@matsci-etalks5994 3 жыл бұрын
I will was busy with some work, and don't have much computational resources these days. But it is in preparation.
@mekrajavel718
@mekrajavel718 3 жыл бұрын
Really impressed 👍
@matsci-etalks5994
@matsci-etalks5994 3 жыл бұрын
Most welcome. Do share and subscribe.
@newswave24media
@newswave24media 3 жыл бұрын
can you please do a peizoelectricity calculation using quantum esspresso !!
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Final muy increíble 😱
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