Dear all,
I want to connect carbon nanotubes as they connect in reality. It means that in the connection area there are pentagons and heptagons. I use CONTUb (an algorithm for connecting two arbitrary carbon nanotubes), but it has two problems: 1) version 2 of this aplication does not work and i can not connect three nanotubes.
2) version 1 gives me a heterojunction that is not streight in the Z direction and it built an angle with this direction. but I have a streight heterojunction for my simulations.
could you please introduce some other ways to built heterojunctions?
please guide me in this issue,
Best Regards
The surface of the material can be modified first, and then the organic reaction such as polymerization reaction can be initiated by the initiator of the polymerization system to realize the connection of carbon nanotubes.
thanks Dear Qian. I want to simulate this kind of junctions and want to creat these structures using Softwars. could you please familiar with any software or alghorithm can do that?
Dear Jam, you could try to build a computational model by Density functional theory by reference:Oxygen-Reconstituted Active Species of Single-Atom Cu Catalysts for Oxygen Reduction ReactionArticle Oxygen-Reconstituted Active Species of Single-Atom Cu Cataly...
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