QuantumATK Forum

NanoLab => General Questions => Topic started by: bhanuCh on June 17, 2021, 20:57

Title: Zig-Zag CNT
Post by: bhanuCh on June 17, 2021, 20:57
Dear VNL-ATK users and experts,
I want to design a zig-zag carbon nanotube of different chirality. But when I open the nanotube builder, there is no option for edge zigzag or armchair. Can anyone highlight, how the builder designs the ZZ CNTS or any other nanotubes with zig-zag and armchair edges?
Title: Re: Zig-Zag CNT
Post by: Anders Blom on June 17, 2021, 22:06
Zigzag nanotubes are of the chiral index type (n,0) and armchair are (n,n).

A friendly suggestion is to catch up on the basic properties on nanotubes via some review article or the many, many resources you can easily find online. A Google search on "zigzag cnt" immediately shows pictures of the property I mentioned above, e.g. via http://www.photon.t.u-tokyo.ac.jp/~maruyama/kataura/chirality.html. That way it will be easier for you to successfully run the calculations you are interested in.
Title: Re: Zig-Zag CNT
Post by: bhanuCh on June 18, 2021, 10:34
Thank you very much for replying to such a basic question, sir. Surely, I will try to catch up with the basics.
Title: Re: Zig-Zag CNT
Post by: Anders Blom on June 18, 2021, 20:52
I always enjoy interacting with our users and one has to remember that we are all new to a subject at some point :) I also take it as feedback that perhaps it could make sense to use the labels zigzag/armchair even in the nanotube builder, as shortcuts. Note that we do have these in the graphene nanoribbon builder!