As far as I understand, chlorographene is simply ordinary graphene with a Cl atom attached to each carbon atom, alternating on each side of the sheet. I suggest the following approach to build it using the VNL Builder:
- Use the Nanosheet plugin to build graphene.
- Make a copy of the graphene Stash item, and turn all atoms on the copy into chlorine.
- Then use a combination of the Select and Move tools to separate the Cl atoms along the A axis (half above the sheet, half below the sheet).
- Then highlight the original graphene stash item, and use drag-and-drop to add the Cl-containing structure to the graphene structure.
- Use again the Select and Move tools to position the Cl atoms correctly above/below the C atoms with reasonable bond lengths.
That is how I created the attached structure.
FINALLY: You should perform a geometry optimization to make sure the Cl bond lengths are correct.
