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3 votes
0 answers
56 views

How to cut a Nano material from a cif file properly [closed]

I am not asking which software to use to or how to remove atoms from a supercell. But rather how to decide which part should be removed. Like do I give preference to some surfaces or some particular ...
Parmeet Singh EP 066's user avatar
8 votes
0 answers
124 views

How to compare the stability of two nano-structures using ab-inito calculations? [closed]

I have recently started working on Double Perovskites Quantum Dots and one of the main issue with them is that they are not much stable. Some papers did talk about how much stable there compounds are ...
Parmeet Singh EP 066's user avatar