Create periodic structure

General Discussion
1

good morning can guide me as I can build a periodic structure of graphene?. Thanks in advance!

2

good morning can guide me as I can build a periodic structure of graphene?. Thanks in advance!

There are a few ways to do this. Probably the easiest would be to open up the crystal structure of graphite:

Then in the dialog, pick out the graphite unit cell:

Then generate a larger “super cell” as needed:

I’d recommend something like A x5, Bx5. Then you’ll have dual-layer graphene and you can select and remove the bottom layer.

Hope that helps,
-Geoff

Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoff.hutchison@gmail.com
web: http://hutchison.chem.pitt.edu/