▎ 摘 要
For the first time the problem of chemical functionalization of mono- and bilayer graphene by epoxy and hydroxyl groups was considered taking into account a real geometry profile of synthesized carbon objects. Such energy characteristics of graphene oxidization as the enthalpy of reaction, binding energy, and the energy of activation barrier were found by means of mathematical modeling. The application of obtained results may help experimenters to decrease energy costs in the synthesis of materials on the base of functionalized graphene.