4.7 Article

Structural and optical integrity of pure and NiFe2O4-GO nanoferrite: A combined experimental and first principles approach

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INORGANIC CHEMISTRY COMMUNICATIONS
卷 158, 期 -, 页码 -

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ELSEVIER
DOI: 10.1016/j.inoche.2023.111662

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Nickel ferrite; Graphene oxide; Inverse Spinel; Density functional theory; Band gap energy

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Graphene oxide (GO)-supported nickel ferrite (NiFe2O4) nanoparticles were synthesized and found to have an inverse cubic spinel structure and binary interstice occupancy. The narrow bandgap and unique structural landscape of GO-coupled NiFe2O4 nanoparticles make them a promising candidate for photocatalysis with active charge separation.
Graphene oxide (GO)-supported nickel ferrite (NiFe2O4) nanoparticles were prepared via the chemical coprecipitation technique. The resulting pure NiFe2O4 and NiFe2O4/GO nanocomposites display an inverse cubic spinel structure with binary interstice occupancy according to experimental and density functional theory (DFT) simulations. The structural-dependent physiochemical variations reflect in the narrow bandgap of GO-coupled NiFe2O4 with a distinct structural landscape. The narrow optical bandgap of the resultant GO-NiFe2O4 (1.48 eV) nanoferrite illustrates their potential utility as a promising photocatalyst with active charge separation.

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