New polymorphous types of graphene formed from carbyne chains
The structure of the new polymorphic types of graphene was obtained as a result of diferent variants linking of carbyne chains. Geometric optimized structure and a number of properties model derived layers were calculated using the density functional theory in the gradient approximation. In result calculations established the possibility of stable existence of ifteen new polymorphic types of Graphene, composed of carbon atoms in two or three diferent crystallographic positions. The band gap of eight polymorphs is zero, and for the rest is from 0.13 to 0.59 eV. The energy of sublimation for polymorphs L4-6-8a, L4-6-8b, L4-6-8c, L4-6-8e and L4-6-8f was higher than the values of sublimation energy main polymorphs of graphene (L4-8, L3-12 and L4-6-12), but lower than the energy of atomization of hexagonal graphene.