QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: [email protected] on July 18, 2018, 17:42

Title: nanotube
Post by: [email protected] on July 18, 2018, 17:42

how to make nanotube of In2O3 in atkvnl

Title: Re: nanotube
Post by: Petr Khomyakov on July 19, 2018, 09:55

Please first search for what this nanotube structure(s) looks like, and then post the corresponding atomic structure images. Otherwise, it is hard to say on how to build something one has never seen.

Title: Re: nanotube
Post by: [email protected] on August 1, 2018, 20:45

I have cif file of In2O3 and which look like bulk structure and one of the experimental paper has made microtubules In2O3 you requried that structure of experimental paper ??

Title: Re: nanotube
Post by: Ulrik G. Vej-Hansen on August 2, 2018, 15:08

It is not clear to me exactly what kind of nanotube you expect to get, but we have described a general approach, based on MoS2, here: https://docs.quantumwise.com/tutorials/mos2_cnt/mos2_cnt.html

I hope this helps you.