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.
(Photo Credit: National Center for Electron Microscopy)
This Quicktime movie produced with the TEAM 0.5 microscope shows the growth of a hole and the atomic edge reconstruction in a graphene sheet. An electron beam focused to a spot on the sheet blows out the exposed carbon atoms to make the hole. The carbon atoms then reposition themselves to find a stable configuration.
(Photo Credit: National Center for Electron Microscopy)
