Nanosheet with a hole

QuantumATK: Nanosheet


This quick tutorial shows you how to make a small defect in graphene,
viz. a hole, and passivate it with hydrogen atoms to saturate all the bonds.

Here are the instructions:

  • Step 1: Click Add ‣ From Plugin ‣ Nanosheet.
  • Step 2: Set n=1, m=1 and click Build. This inserts a simple orthorhombic unit cell of graphene.
  • Step 3: Use Bulk Tools ‣ Repeat to make a larger structure. A repetition of 1x6x6 is suitable.
  • Step 4: Press Ctrl+R in the plot window, to center the view.
  • Step 5: Switch to the circle select tool SelectEllipse02_icon.
  • Step 6: Select a hexagon, press Delete on the keyboard.
  • Step 7: Click the passivate button Passivate02_icon on the toolbar.