Insight into charge carrier dynamics and interface design of {0 0 1} TiO2 coupled with TiOF2 for photocatalytic degradation of contaminants of emerging concern
Herein, the role of titanium oxyfluoride (TiOF2) on the charge carriers generation and electron transport in the {0 0 1} TiO2/TiOF2 heterojunction photocatalysts was examined. Time-resolved microwave conductivity (TRMC), fluorescence lifetime spectroscopy, and DFT calculations were applied to invest...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/425664 |
| Acceso en línea: | http://hdl.handle.net/10261/425664 https://www.scopus.com/inward/record.uri?eid=2-s2.0-86000137406&doi=10.1016%2Fj.apsusc.2025.162893&partnerID=40&md5=db70a2f3900aea712651bb57108797b8 |
| Access Level: | acceso abierto |
| Palabra clave: | Hydroxyl radicals generation Photocatalyst TiO<sub>2</sub>/TiOF<sub>2</sub> Titanium oxyfluoride TRMC |
| Sumario: | Herein, the role of titanium oxyfluoride (TiOF2) on the charge carriers generation and electron transport in the {0 0 1} TiO2/TiOF2 heterojunction photocatalysts was examined. Time-resolved microwave conductivity (TRMC), fluorescence lifetime spectroscopy, and DFT calculations were applied to investigate the charge carriers dynamics. These binary photocatalysts in a broad TiOF2 content were further studied in photocatalytic generation of hydroxyl radicals (•OH) and degradation of several organic contaminants of emerging concern (CECs), namely 4-chlorophenol (4CP), myclobutanil (MCL) and carbamazepine (CBZ). Regardless of the CEC tested, it was found that the combination of highly-energetic {0 0 1} TiO2 with TiOF2 phase improved the photocatalytic activity compared to the pristine anatase. The presence of the TiOF2 phase in the heterojunction increased the interfacial charge carriers separation and enhanced the generation of •OH radicals. Maximised photocatalytic activity and TOC reduction were observed for composites with a TiOF2 content of 1.5 %–6 %, which exhibited the highest number of photogenerated charge carriers and a longer lifetime compared to those with higher TiOF2 content. DFT calculations revealed high potential barriers within the TiOF2 structure, which explains the optimum at a low level of TiOF2 amount. Finally, high photocatalytic activity was maintained in five consecutive degradation cycles. © 2025 |
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