The visible-light-responsive inorganic-organic hybrid was prepared by surface modification of commercial TiO2 powder (Degussa P25) with 4-chlorophenol (4-CP). The optical absorption of the hybrid material is red-shifted compared to unmodified TiO2 powder due to the surface charge transfer complex (CTC) formation. The experimental results are supported by the density functional theory (DFT) calculations of the corresponding model cluster. The calculated electronic excitation spectrum is in agreement with the measured reflection spectrum of surface-modified TiO2 powder with 4-CP. The paramagnetic species, generated in the unmodified and surface modified TiO2 powders upon excitation with ultraviolet and visible light, were identified using low-temperature electron paramagnetic resonance (EPR) spectroscopy. The formation of trapped electrons (Ti(III) centers) and the persistent oxygen-centered organic radicals indicated the photoinduced electron transfer from the chemisorbed 4-chlorophenol... to the conduction band of TiO2.
Keywords:
TiO2 / 4-Chlorophenol / Charge transfer complex / EPR
Source:
Optical Materials, 2019, 89, 237-242
Publisher:
Elsevier, Amsterdam
Funding / projects:
Multilateral Scientific and Technological Cooperation Projects in the Danube Region [DS -2016-0016]
Slovak Research and Development AgencySlovak Research and Development Agency [DS 2016-0016]
TY - JOUR
AU - Barbierikova, Zuzana
AU - Dvoranova, Dana
AU - Brezova, Vlasta
AU - Džunuzović, Enis
AU - Sredojević, Dušan
AU - Lazić, Vesna M.
AU - Nedeljković, Jovan
PY - 2019
UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4243
AB - The visible-light-responsive inorganic-organic hybrid was prepared by surface modification of commercial TiO2 powder (Degussa P25) with 4-chlorophenol (4-CP). The optical absorption of the hybrid material is red-shifted compared to unmodified TiO2 powder due to the surface charge transfer complex (CTC) formation. The experimental results are supported by the density functional theory (DFT) calculations of the corresponding model cluster. The calculated electronic excitation spectrum is in agreement with the measured reflection spectrum of surface-modified TiO2 powder with 4-CP. The paramagnetic species, generated in the unmodified and surface modified TiO2 powders upon excitation with ultraviolet and visible light, were identified using low-temperature electron paramagnetic resonance (EPR) spectroscopy. The formation of trapped electrons (Ti(III) centers) and the persistent oxygen-centered organic radicals indicated the photoinduced electron transfer from the chemisorbed 4-chlorophenol to the conduction band of TiO2.
PB - Elsevier, Amsterdam
T2 - Optical Materials
T1 - Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study
EP - 242
SP - 237
VL - 89
DO - 10.1016/j.optmat.2019.01.027
ER -
@article{
author = "Barbierikova, Zuzana and Dvoranova, Dana and Brezova, Vlasta and Džunuzović, Enis and Sredojević, Dušan and Lazić, Vesna M. and Nedeljković, Jovan",
year = "2019",
abstract = "The visible-light-responsive inorganic-organic hybrid was prepared by surface modification of commercial TiO2 powder (Degussa P25) with 4-chlorophenol (4-CP). The optical absorption of the hybrid material is red-shifted compared to unmodified TiO2 powder due to the surface charge transfer complex (CTC) formation. The experimental results are supported by the density functional theory (DFT) calculations of the corresponding model cluster. The calculated electronic excitation spectrum is in agreement with the measured reflection spectrum of surface-modified TiO2 powder with 4-CP. The paramagnetic species, generated in the unmodified and surface modified TiO2 powders upon excitation with ultraviolet and visible light, were identified using low-temperature electron paramagnetic resonance (EPR) spectroscopy. The formation of trapped electrons (Ti(III) centers) and the persistent oxygen-centered organic radicals indicated the photoinduced electron transfer from the chemisorbed 4-chlorophenol to the conduction band of TiO2.",
publisher = "Elsevier, Amsterdam",
journal = "Optical Materials",
title = "Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study",
pages = "242-237",
volume = "89",
doi = "10.1016/j.optmat.2019.01.027"
}
Barbierikova, Z., Dvoranova, D., Brezova, V., Džunuzović, E., Sredojević, D., Lazić, V. M.,& Nedeljković, J.. (2019). Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study. in Optical Materials
Elsevier, Amsterdam., 89, 237-242.
https://doi.org/10.1016/j.optmat.2019.01.027
Barbierikova Z, Dvoranova D, Brezova V, Džunuzović E, Sredojević D, Lazić VM, Nedeljković J. Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study. in Optical Materials. 2019;89:237-242.
doi:10.1016/j.optmat.2019.01.027 .
Barbierikova, Zuzana, Dvoranova, Dana, Brezova, Vlasta, Džunuzović, Enis, Sredojević, Dušan, Lazić, Vesna M., Nedeljković, Jovan, "Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study" in Optical Materials, 89 (2019):237-242,
https://doi.org/10.1016/j.optmat.2019.01.027 . .
