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A simple methodology for obtaining novel heterojunction photocatalyst NiO/δ-FeOOH: a theoretical and experimental study

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Abstract

A new type of photocatalyst was obtained by heterojunction between δ-FeOOH and NiO using a ball mill. The proportion of NiO in relation to δ-FeOOH was varied, resulting in the materials FN5, FN10 and FN20 (5, 10 and 20% w/w, NiO:δ-FeOOH). The diffractograms confirmed the heterojunction by the presence of crystalline planes of NiO. In addition, the heterojunction formed also reflected in the increase in the band gap of the material and, consequently, in the performance of photocatalysis, especially for FN20, which reached about 72% of dye removal in 4 h. Theoretical studies were carried out to elucidate the mechanisms of photocatalysis by optimization and single-point calculations of NiO and δ-FeOOH structures. The results indicated that, when the light is on, the holes pass from the valence band of NiO to the valence band of δ-FeOOH, whose photoexcited electrons go from its conduction band to the conduction band of NiO. This effect results in decreasing electron/hole recombination rates, improving the photocataylic process when compared to the δ-FeOOH photocatalyst alone. In addition, it was observed that the water oxidation occurs on δ-FeOOH surface, and that this reaction can be thermodynamically favorable.

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Acknowledgements

We would like to thank the Federal University of Lavras, where this research was developed, the partner university that was extremely important in the characterization analyses, the Federal University of São Carlos, and the funding agencies that supported this study with the grants offered for institutional programs, the Coordination for the Improvement of Higher Education Personnel (CAPES), the National Council for Scientific and Technological Development (CNPq) and the Foundation for Supporting Research of the State of Minas Gerais (FAPEMIG). Thank also the Programa de Pós-Graduação da Rede Mineira de Química, PPGMQ-MG.

Funding

This study was funded by the Federal University of Lavras, where this research was developed, the partner university that was extremely important in the characterization analyses, the Federal University of São Carlos and the development companies that supported this study with the funds offered for institutional programs, the Coordination for the Improvement of Higher Education Personnel (CAPES), the National Council for Scientific and Technological Development (CNPq) and the Foundation for Supporting Research of the State of Minas Gerais (FAPEMIG).

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Authors and Affiliations

  1. Department of Chemistry, Institute of Natural Sciences, Federal University of Lavras, Lavras, MG, 37200900, Brazil

    Mariana de Rezende Bonesio, Daiana Teixeira Mancini & Teodorico Castro Ramalho

  2. Department of Chemical Engineering, Federal University of São Carlos, São Carlos, SP, 13565-905, Brazil

    Francisco Guilherme Esteves Nogueira

  3. Interdisciplinary Laboratory of Electrochemistry and Ceramics (LIEC), Department of Chemistry, Federal University of São Carlos, São Carlos, SP, 13565-905, Brazil

    Lucas S. Ribeiro

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  1. Mariana de Rezende Bonesio
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Correspondence to Mariana de Rezende Bonesio.

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Bonesio, M., Nogueira, F.G.E., Mancini, D.T. et al. A simple methodology for obtaining novel heterojunction photocatalyst NiO/δ-FeOOH: a theoretical and experimental study. J IRAN CHEM SOC 20, 415–426 (2023). https://doi.org/10.1007/s13738-022-02676-8

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