The Role of Iron Oxide on the Electronic and Electrical Properties of Nitrogenated Reduced Graphene Oxide: Experimental and Density Functional Theory Approach

In this study, nitrogenated reduced graphene oxide (N-rGO) was synthesized and functionalized with iron III oxide (Fe 2 O 3 ) nanoparticles via a two-step facile sol–gel method. The electrical properties of N-rGO functionalized Fe 2 O 3 nanoparticles showed enhanced electrical conductivity for low Fe 2 O 3 concentration. The I–V characteristics further showed the conversion of p -type to n -type semiconducting features. The enhanced electrical conductivity can be attributed to induced defects arising from the incorporation of Fe 2 O 3 nanoparticles into the N-rGO matrix. Density functional theory calculations showed the formation of unoccupied states below the Fermi level, as well as charge transfer between C, N, Fe, and O atoms. The improved electrical conductivity and conversion of p- to n -type semi-conductivity can be attributed to the hybridization between the C 2p, O 2p, N 2p, and Fe 3d orbitals, and could lead to increased potential of rGO composite for electronic device applications.