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How to build a borophene nanoribbon correctly in VNL?
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Topic: How to build a borophene nanoribbon correctly in VNL? (Read 4341 times)
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narin
Heavy QuantumATK user
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How to build a borophene nanoribbon correctly in VNL?
«
on:
May 19, 2018, 17:22 »
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.
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
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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.
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narin
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Re: How to build a borophene nanoribbon correctly in VNL?
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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.
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
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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.
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How to build a borophene nanoribbon correctly in VNL?