QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: frank on October 2, 2017, 16:25

Title: How to create the unzipped carbon nanotube?
Post by: frank on October 2, 2017, 16:25

Hello,
I want to create the unzipped carbon nanotube, as the picture shows. Unzipping carbon nanotube can be realized in experimental by longitudinal  scissoring.
But I do not know how to build the model.

Thank you!

Title: Re: How to create the unzipped carbon nanotube?
Post by: Jess Wellendorff on October 3, 2017, 09:00

It's a tough one, but you should have a look at this tutorial, which showcases something similar: https://docs.quantumwise.com/tutorials/exploring_graphene/exploring_graphene.html (https://docs.quantumwise.com/tutorials/exploring_graphene/exploring_graphene.html) You should probably think about how to define the unzipping in a mathematical sense, such that it can be implemented in a script as done in the tutorial.