Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study
Само за регистроване кориснике
2019
Аутори
Barbierikova, ZuzanaDvoranova, Dana
Brezova, Vlasta
Džunuzović, Enis

Sredojević, Dušan

Lazić, Vesna M.

Nedeljković, Jovan

Чланак у часопису (Објављена верзија)

Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
TiO2 / 4-Chlorophenol / Charge transfer complex / EPRИзвор:
Optical Materials, 2019, 89, 237-242Издавач:
- Elsevier, Amsterdam
Финансирање / пројекти:
- 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]
- Материјали редуковане димензионалности за ефикасну апсорпцију светлости и конверзију енергије (RS-45020)
- Ministry of Education, Science, Research and Sport of the Slovak Republic
DOI: 10.1016/j.optmat.2019.01.027
ISSN: 0925-3467
WoS: 000465509800033
Scopus: 2-s2.0-85060846949
Институција/група
Tehnološko-metalurški fakultetTY - 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 . .