Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study
Само за регистроване кориснике
2017
Аутори
Sredojević, DušanKovač, Tijana
Džunuzović, Enis
Đorđević, Vesna R.
Grgur, Branimir
Nedeljković, Jovan
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems.
Кључне речи:
Charge transfer complex / TiO2 / Phenol derivatives / Density functional theory / Cyclic voltammetryИзвор:
Chemical Physics Letters, 2017, 686, 167-172Издавач:
- Elsevier, Amsterdam
Финансирање / пројекти:
- Материјали редуковане димензионалности за ефикасну апсорпцију светлости и конверзију енергије (RS-45020)
DOI: 10.1016/j.cplett.2017.08.023
ISSN: 0009-2614
WoS: 000410844000027
Scopus: 2-s2.0-85028500176
Колекције
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Sredojević, Dušan AU - Kovač, Tijana AU - Džunuzović, Enis AU - Đorđević, Vesna R. AU - Grgur, Branimir AU - Nedeljković, Jovan PY - 2017 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3537 AB - The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems. PB - Elsevier, Amsterdam T2 - Chemical Physics Letters T1 - Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study EP - 172 SP - 167 VL - 686 DO - 10.1016/j.cplett.2017.08.023 ER -
@article{ author = "Sredojević, Dušan and Kovač, Tijana and Džunuzović, Enis and Đorđević, Vesna R. and Grgur, Branimir and Nedeljković, Jovan", year = "2017", abstract = "The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems.", publisher = "Elsevier, Amsterdam", journal = "Chemical Physics Letters", title = "Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study", pages = "172-167", volume = "686", doi = "10.1016/j.cplett.2017.08.023" }
Sredojević, D., Kovač, T., Džunuzović, E., Đorđević, V. R., Grgur, B.,& Nedeljković, J.. (2017). Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study. in Chemical Physics Letters Elsevier, Amsterdam., 686, 167-172. https://doi.org/10.1016/j.cplett.2017.08.023
Sredojević D, Kovač T, Džunuzović E, Đorđević VR, Grgur B, Nedeljković J. Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study. in Chemical Physics Letters. 2017;686:167-172. doi:10.1016/j.cplett.2017.08.023 .
Sredojević, Dušan, Kovač, Tijana, Džunuzović, Enis, Đorđević, Vesna R., Grgur, Branimir, Nedeljković, Jovan, "Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study" in Chemical Physics Letters, 686 (2017):167-172, https://doi.org/10.1016/j.cplett.2017.08.023 . .