Visible-Light Photocatalytic Degradation of Cresols using Sustainable 3D-Printed Bi4O5I2-Hematite Scaffold
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| Main Authors: | , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| author | Rawat, Akash de Oliveira, Raphael B. Pal, Tapas Antunes, Kleuton Fabris, Guilherme S. L. Tromer, Raphael M. Junior, Marcelo L. Pereira Singh, Adarsh Gupta, Ashok Kumar Galvao, Douglas S. Tiwary, Chandra Sekhar |
| author_facet | Rawat, Akash de Oliveira, Raphael B. Pal, Tapas Antunes, Kleuton Fabris, Guilherme S. L. Tromer, Raphael M. Junior, Marcelo L. Pereira Singh, Adarsh Gupta, Ashok Kumar Galvao, Douglas S. Tiwary, Chandra Sekhar |
| contents | In photocatalysis, the reusability limit of catalysts can contribute to secondary pollution, posing ecological risks. Addressing this, the present study explores the integration of additive manufacturing with photocatalysis by decorating Bi$_4$O$_5$I$_2$ onto a 3D-printed hematite scaffold (Bi$_4$O$_5$I$_2$@3DH) for the degradation of cresols. The 3D-printed hematite grid, fabricated via direct ink writing, exhibited excellent rheological behavior ($τγ= 24$ Pa), allowing precise shape retention. The sintered Bi$_4$O$_5$I$_2$ was subsequently immobilized via a facile dip-coating method. Under optimized conditions, the composite achieved 99.78\% degradation of 20 mg/L p-cresol within 240 min of irradiation. Notably, hematite served as a porous substrate and contributed to photocatalytic activity. Density functional theory simulations with Hubbard correction (DFT+U) indicated an interfacial charge transfer of approximately -0.9 electrons from hematite to Bi$_4$O$_5$I$_2$, confirming a S-scheme heterojunction between hematite and Bi$_4$O$_5$I$_2$ semiconductors, validating experimental observations. The composite demonstrated strong performance across varied water matrices and in the presence of other cresol isomers. It also retained 84.28\% degradation efficiency after 10 cycles, with negligible catalyst leaching. Furthermore, in vitro and in silico ecotoxicity analyses revealed reduced toxicity of the degradation products. The current work presents a novel and scalable strategy, advancing the use of earth-abundant hematite minerals in sustainable environmental remediation. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2508_13248 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Visible-Light Photocatalytic Degradation of Cresols using Sustainable 3D-Printed Bi4O5I2-Hematite Scaffold Rawat, Akash de Oliveira, Raphael B. Pal, Tapas Antunes, Kleuton Fabris, Guilherme S. L. Tromer, Raphael M. Junior, Marcelo L. Pereira Singh, Adarsh Gupta, Ashok Kumar Galvao, Douglas S. Tiwary, Chandra Sekhar Chemical Physics Materials Science In photocatalysis, the reusability limit of catalysts can contribute to secondary pollution, posing ecological risks. Addressing this, the present study explores the integration of additive manufacturing with photocatalysis by decorating Bi$_4$O$_5$I$_2$ onto a 3D-printed hematite scaffold (Bi$_4$O$_5$I$_2$@3DH) for the degradation of cresols. The 3D-printed hematite grid, fabricated via direct ink writing, exhibited excellent rheological behavior ($τγ= 24$ Pa), allowing precise shape retention. The sintered Bi$_4$O$_5$I$_2$ was subsequently immobilized via a facile dip-coating method. Under optimized conditions, the composite achieved 99.78\% degradation of 20 mg/L p-cresol within 240 min of irradiation. Notably, hematite served as a porous substrate and contributed to photocatalytic activity. Density functional theory simulations with Hubbard correction (DFT+U) indicated an interfacial charge transfer of approximately -0.9 electrons from hematite to Bi$_4$O$_5$I$_2$, confirming a S-scheme heterojunction between hematite and Bi$_4$O$_5$I$_2$ semiconductors, validating experimental observations. The composite demonstrated strong performance across varied water matrices and in the presence of other cresol isomers. It also retained 84.28\% degradation efficiency after 10 cycles, with negligible catalyst leaching. Furthermore, in vitro and in silico ecotoxicity analyses revealed reduced toxicity of the degradation products. The current work presents a novel and scalable strategy, advancing the use of earth-abundant hematite minerals in sustainable environmental remediation. |
| title | Visible-Light Photocatalytic Degradation of Cresols using Sustainable 3D-Printed Bi4O5I2-Hematite Scaffold |
| topic | Chemical Physics Materials Science |
| url | https://arxiv.org/abs/2508.13248 |