It is well known that band gap decrease with increase in width of graphene nanoribbons, but can it increase with increase in width? if yes, then what can be the possible reason for this?
Dear Dr. Payal Wadhwa,
Thats right, band gap decrease with increase in width of graphene nanoribbons. Also gaps ranging from 1.1 eV (7 nm Si wire diameter) up to 3.5 eV (1.3 nm Si wire diameter). So as we know, it cant.
Best regards
I am attaching couple of papers. First three papers are related to band gap variation with nanoribbon width variation only and you may find some clues from attached paper 2 and 3 in line to justify whether there is a possibility that band gap may increase with increase of width. The last paper attached deals with edge defects and width variation that was also part of your question. I hope the attached papers will be very useful to you.
In case you like these papers that answer your queries, please recommend my answer.
Sincerely,
Dr. Nabil Shovon Ashraf.
Thank you Sir. but in all the papers only in armchair we can have an increase and decrease in band gap with width. For 3p, 3p+1, 3p+2, there is overall decrease. Is there any other reference in which band gap increase with increase in width for ZGNRs?
It might not be possible to precisely answer your question whether you can see the simulation result of increase of band gap with nanoribbon width for zig-zag nanoribbon (ZGNR). I am attaching one more paper. See if it is close to the analysis you have in your mind.
Sincerely,
Dr. Nabil Shovon Ashraf.
Payal:
If my answers were useful to address your concerns, would you please recommend my answers. Thank you.
Sincerely,
Dr. Nabil Shovon Ashraf.
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