Author Topic: How to build a borophene nanoribbon correctly in VNL?  (Read 4346 times)

0 Members and 1 Guest are viewing this topic.

Offline narin

  • Heavy QuantumATK user
  • ***
  • Posts: 44
  • Country: at
  • Reputation: 0
    • View Profile
Dear sirs

I am trying to build a borophene nanoribbon in VNL as reported in the attahced paper. However the borophene nanoribbon VNL creates is wrong (the attached figure) according to the reported geometry in the paper. How can I build a correct borophene nanoribbon in VNL?

(The paper reporting the correct porophene nanoribbon is: https://link.springer.com/content/pdf/10.1007%2Fs40820-017-0167-z.pdf)

Thanks.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: How to build a borophene nanoribbon correctly in VNL?
« Reply #1 on: May 20, 2018, 21:05 »
Please give more details on how you have built this structure using the QuantumATK NanoLab GUI.

Offline narin

  • Heavy QuantumATK user
  • ***
  • Posts: 44
  • Country: at
  • Reputation: 0
    • View Profile
Re: How to build a borophene nanoribbon correctly in VNL?
« Reply #2 on: May 22, 2018, 19:10 »
Hi Peter

I followed this order: Add->From plugin->Nanoribbon and then selected Boron for the elements however I couldn't replicate the structure shown in the paper.

I hope ypu can help me building this.

Thanks a lot.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: How to build a borophene nanoribbon correctly in VNL?
« Reply #3 on: May 23, 2018, 00:10 »
Nanoribbon plugin is meant to build graphene-like nanoribbons, i.e.,  the ones that are based on the honeycomb 2D crystal structure. 

To build a nanoribbon as in the paper mentioned,  you should first build the corresponding 2D crystal by either exporting it from some database to the Builder or building it in the Crystal Builder, see https://docs.quantumwise.com/tutorials/crystal_builder/crystal_builder.html.

Using this built 2D crystal, you may then  make a nanoribbon by manually cutting the edges in the Builder.