Graphene Hole Simulation (VIDEO)

DOE/Lawrence Berkeley National Laboratory

Caption

The atomic dynamics of the hole in graphene was simulated via a kinetic Monte Carlo method. Probabilities for atomic migration, insertion and ejection were determined by ab-initio calculation. The simulation starts with a predefined hole in a graphene sheet. As it proceeds, the hole grows and the atoms along the edge rearrange themselves. The zigzag configuration is found to dominate the armchair one.

Credit

National Center for Electron Microscopy

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