Abstract:
By method of density functional we determined nature and degree of effect of size of ZnO-nanocrystals on the fermi energy, profile of density function of electron states and conductance of aminated graphene (AmGr). It was determined that localization of ZnO-nanocrystals near NH$_2$-groups with formation of covalent bonds of nanocrystals with AmGr by formation of Zn–N-bonds is energy favorable. increase in size of ZnO-nanocrystals from sub- to nanometer size results in resistance increasing by three times, this makes such films promising for the sensing of water and gas molecules.
Keywords:ZnO-nanocrystals, conductance, Fermi level, transmittance function of electrons, density of electron states, functionalized graphene.
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