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The role of iron oxide on the electronic and electrical properties of nitrogenated reduced graphene oxide: experimental and density functional theory approach

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Abstract

In this study, nitrogenated reduced graphene oxide (N-rGO) was synthesized and functionalized with iron III oxide (Fe2O3) nanoparticles via a two-step facile sol–gel method. The electrical properties of N-rGO functionalized Fe2O3 nanoparticles showed enhanced electrical conductivity for low Fe2O3 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 Fe2O3 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.

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The data that support the findings of this study are available from the corresponding author upon reasonable request.

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Acknowledgements

DOI acknowledge the physics department of the University of South Africa, Florida for the provision of characterization resources and the Govan Mbeki Research and Development Centre of the University of Fort Hare for financial support.

Funding

This work was funded by Govan Mbeki Research and Development Centrem, University of Fort Hare.

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Authors and Affiliations

  1. Fort Hare Institute of Technology, University of Fort Hare, Private Bag X1314, Alice, 5700, South Africa

    David O. Idisi & Edson L. Meyer

  2. Department of Physics, CSET, University of South Africa, Private Bag X6, Johannesburg, 1710, South Africa

    Evans M. Benecha

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  1. David O. Idisi
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DOI contribution: Conceptualization, methodology, investigation, formal analysis, data curation, software, initial manuscript draft. ELM: manuscript review and editing. EMB contribution: Data validation, manuscript review, and editing.

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Correspondence to David O. Idisi.

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Idisi, D.O., Meyer, E.L. & Benecha, E.M. The role of iron oxide on the electronic and electrical properties of nitrogenated reduced graphene oxide: experimental and density functional theory approach. J Mater Sci: Mater Electron 35, 192 (2024). https://doi.org/10.1007/s10854-024-11947-4

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