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.
Keywords:
Charge transfer complex / TiO2 / Phenol derivatives / Density functional theory / Cyclic voltammetry
TY - 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 . .
