Author Topic: How to overcome overlapping atoms in structure of Mxene Ti2CO2  (Read 87 times)

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Offline amirah

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Hi all,

My name is Amirah, a new user to this software. Before this, I have asked a question regarding this issue but no reply. I really hope someone could please help me through this. I have designed 2 structures which are Ti-C (Armchair edge) and C-O (Armchair edge) as shown in the attachments below. I am trying to built Mxene nanoribbon, Ti2CO2, however the system cannot simulate the structure due to overlapping issue. Referring to the attachments below, the system said that some atoms are overlap and I need help from the expert to solve this so that I can come out with the bandstructure. In other words, how to merge 2 structures into 1 structure or is there have any other ways to built Ti2CO2?
« Last Edit: June 5, 2022, 05:25 by amirah »