SV and DV models were created by removing one or two adjacent atoms from a Graphene layer, followed by an equilibration in the presence of methanol by DFT-MD for 5 ps. The SV-model is characterized by a five-membered and a nine-membered ring, with one atom under-coordinated (indicated with C u1 ), as experimentally observed by TEM. The DV model features two five-membered and one eight-membered rings, without any undercoordinated carbon atoms.