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Facet-dependent generation of hydroxyl radical from CuFe2O4-mediated H2O2 activation: Enhanced catalytic performance and mechanism insight.

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Title: Facet-dependent generation of hydroxyl radical from CuFe2O4-mediated H2O2 activation: Enhanced catalytic performance and mechanism insight.
Authors: Li, Ling1,2,3 (AUTHOR), Li, Xin Rui1,2 (AUTHOR), Wang, Cong1,2 (AUTHOR), Lu, Xue Feng3 (AUTHOR), Huang, Di1,2 (AUTHOR), Lv, Yuan Fei2 (AUTHOR), Huang, Ying Ping1,2 (AUTHOR) chem_ctgu@126.com
Source: Separation & Purification Technology. Jul2026:Part 1, Vol. 394, pN.PAG-N.PAG. 1p.
Subjects: Copper ferrite, Hydrogen peroxide, Transition metal oxides, Oxytetracycline, Ab-initio calculations, Hydroxyl group, Catalysis, Haber-Weiss reaction
Abstract: The Fenton-like catalytic activity of transition metal oxides is strongly influenced by their surface structure, particularly the exposed facets. Herein, CuFe 2 O 4 possessing a range of exposed facets was prepared by changing the hydrothermal time and introducing sodium dodecyl sulfate (SDS) as the capping agent. The resulting (311), (440), and (111) facets demonstrated distinguishing activity in activating H 2 O 2 for the catalytic oxidation of oxytetracycline (OTC). DFT calculation revealed that the (311) facet of CuFe 2 O 4 showed the lowest energy barrier (−2.20 eV) for decomposing H 2 O 2 into •OH, and corresponding value was −2.15 eV and − 1.95 eV for (440) and (111) facets of CuFe 2 O 4 , respectively. That is to say, the (311) and (440) facets of CuFe 2 O 4 were more conducive to generate •OH, which was confirmed to be the principal reactive oxygen species driving OTC degradation through a combination of quenching experiments and ESR analysis. Accordingly, the CuFe 2 O 4 –12-SDS, primarily exposing the (311) and (440) facets, exhibited superior Fenton-like catalytic activity and achieved a 79.3% degradation efficiency of OTC with the kinetic constant to be 0.0124 min−1. These outcomes offer profound comprehensions into the facet-dependent mechanism of H 2 O 2 activation and reference for leveraging the inherent properties of Fe-based catalysts to enhance their Fenton-like performance. [Display omitted] • CuFe 2 O 4 with (311), (440), and (111) facets were obtained by hydrothermal method. • The facet-related activity of CuFe 2 O 4 in H 2 O 2 activation was studied. • DFT results showed that (311) and (440) facets were beneficial for •OH generation. • Oxytetracycline was effectively degraded by CuFe 2 O 4 with (311) and (440) facets. [ABSTRACT FROM AUTHOR]
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Abstract:The Fenton-like catalytic activity of transition metal oxides is strongly influenced by their surface structure, particularly the exposed facets. Herein, CuFe 2 O 4 possessing a range of exposed facets was prepared by changing the hydrothermal time and introducing sodium dodecyl sulfate (SDS) as the capping agent. The resulting (311), (440), and (111) facets demonstrated distinguishing activity in activating H 2 O 2 for the catalytic oxidation of oxytetracycline (OTC). DFT calculation revealed that the (311) facet of CuFe 2 O 4 showed the lowest energy barrier (−2.20 eV) for decomposing H 2 O 2 into •OH, and corresponding value was −2.15 eV and − 1.95 eV for (440) and (111) facets of CuFe 2 O 4 , respectively. That is to say, the (311) and (440) facets of CuFe 2 O 4 were more conducive to generate •OH, which was confirmed to be the principal reactive oxygen species driving OTC degradation through a combination of quenching experiments and ESR analysis. Accordingly, the CuFe 2 O 4 –12-SDS, primarily exposing the (311) and (440) facets, exhibited superior Fenton-like catalytic activity and achieved a 79.3% degradation efficiency of OTC with the kinetic constant to be 0.0124 min−1. These outcomes offer profound comprehensions into the facet-dependent mechanism of H 2 O 2 activation and reference for leveraging the inherent properties of Fe-based catalysts to enhance their Fenton-like performance. [Display omitted] • CuFe 2 O 4 with (311), (440), and (111) facets were obtained by hydrothermal method. • The facet-related activity of CuFe 2 O 4 in H 2 O 2 activation was studied. • DFT results showed that (311) and (440) facets were beneficial for •OH generation. • Oxytetracycline was effectively degraded by CuFe 2 O 4 with (311) and (440) facets. [ABSTRACT FROM AUTHOR]
ISSN:13835866
DOI:10.1016/j.seppur.2026.137396