The Role of TiO2 Photocatalyst in Degradation of Halogenated Phenols: Experimental, DFT and Antibacterial Study

0569770 - ÚFCH JH 2024 RIV NL eng J - Journal Article
Belháčová, Lenka - Supiňková, Taťána - Panáček, A. - Hochvaldová, L. - Prucek, R. - Žouželka, Radek - Rathouský, Jiří
The Role of TiO2 Photocatalyst in Degradation of Halogenated Phenols: Experimental, DFT and Antibacterial Study.
Applied Catalysis A - General. Roč. 656, APR 2023 (2023), č. článku 119134. ISSN 0926-860X. E-ISSN 1873-3875
R&D Projects: GA MŠMT(CZ) EF16_013/0001821; GA MŠMT(CZ) LM2018124
Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821; AV ČR(CZ) MSM200402101
Program: Program na podporu mezinárodní spolupráce začínajících výzkumných pracovníků
Institutional support: RVO:61388955
Keywords : Photocatatysis * TiO2 * DFT * 4-chlorophenol
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Limited access

Degradation of industrial pollutants 4-chlorophenol and 4-bromophenol by heterogeneous photocatalysis using different size and allotropes of TiO2 was investigated. The physico-chemical properties of a wide range of TiO2 nanoparticles were correlated with their photocatalytic activity. The increase in anatase particle size led to an enhancement of the halophenols degradation rate, oppositely to rutile. Based on DFT modelling and experimental data, alternative degradation pathways were proposed, leading either to hydroxylation of halophenol aromatic ring (large nanoparticles), or to direct decarboxylation (small nanoparticles). The participation of hydroxyl radicals was assessed with radical scavenger. The antibacterial activity of nanoparticles and chemical substances was investigated. Changes in toxicity during photocatalytic process were evaluated for selected photocatalysts. The results demonstrate that not only crystalline form and/or constitution of the photocatalyst, but also other properties as well as the treatment duration are important parameters in its performance and should be considered in development of photocatalytic applications.
Permanent Link: https://hdl.handle.net/11104/0341105