http://physics.berkeley.edu/research/zettl/projects/graphenehole/hole.htmlIf you use any of the following videos, please include the
credit "Courtesy Zettl Research Group, Lawrence Berkeley
National Laboratory and University of California at
Berkeley."
To simulate the atomic dynamics of the hole in graphene, a
kinetic monte carlo method was used. The probabilities for
atomic migration, insertion, and ejection are 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.
If you use the following simulation, please include the
credit "Courtesy M.L. Cohen, S.G. Louie, and A. Zettl
research groups, Lawrence Berkeley National Laboratory and
University of California at Berkeley."
