In equation 2, E Tot is the energy of the system after adsorbing (ZnO) 3 on graphene, and in equation 3, it is the energy of the system after adsorbing (ZnO) 3 on a GO model. The energy and free energy of adsorption at 300K are more negative in the triplet than in the single states, and more negative for the GO models than for graphene, which is reflected in the more negative total energies of the triple states than the singlet states. Adsorption is The adsorption of the (ZnO) 3 on graphene and on GO models is accompanied by charge distribution on the atoms and changes in bond lengths between atoms of the ZnO nanocluster.