molecular dynamics simulations and by first principles calculation. The simulations show
that four single vacancies in the graphene layer first coalesce into two double vacancies,
each consisting of a pentagon-heptagon-pentagon (5-8-5) defective structure. While one of
the 5-8-5 defects further reconstructs into a 555-777 defect, which is composed of three
pentagonal rings and three heptagonal rings, another 5-8-5 defect diffuses toward the …