TY  - JOUR
AU  - Kovač, Tijana
AU  - Džunuzović, Enis
AU  - Džunuzović, Jasna
AU  - Milićević, Bojana R.
AU  - Sredojević, Dušan
AU  - Brothers, Edward N.
AU  - Nedeljković, Jovan
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3865
AB  - Surface modification of titanium dioxide nanoparticles (TiO2 NPs) with the biologically active molecule pyridoxine hydrochloride (vitamin B-6) was found to alter the optical properties. Microstructural characterization involving transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis revealed that the anatase TiO2 NPs had a narrow size distribution with an average diameter of 45 angstrom. The absorption onset of the surface-modified TiO2 samples was red-shifted by about 0.4 eV compared to the unmodified particles. The mode of binding between vitamin B-6 and the surface Ti atoms was investigated by Fourier transform infrared spectroscopy (FTIR). From the Benesi-Hildebrand plot, the stability constant of the surface complex was found to be of the order 10(2) M-1. The experimental findings were supported by detailed quantum chemical calculations based on the density functional theory (DFT). Agreement was found between the experimentally measured absorption spectra of the TiO2 NPs surface-modified with vitamin B-6 and the theoretically calculated electronic excitation spectra of the corresponding model system.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT study
EP  - 909
IS  - 7-8
SP  - 899
VL  - 83
DO  - 10.2298/JSC180131044K
ER  - 

@article{
author = "Kovač, Tijana and Džunuzović, Enis and Džunuzović, Jasna and Milićević, Bojana R. and Sredojević, Dušan and Brothers, Edward N. and Nedeljković, Jovan",
year = "2018",
abstract = "Surface modification of titanium dioxide nanoparticles (TiO2 NPs) with the biologically active molecule pyridoxine hydrochloride (vitamin B-6) was found to alter the optical properties. Microstructural characterization involving transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis revealed that the anatase TiO2 NPs had a narrow size distribution with an average diameter of 45 angstrom. The absorption onset of the surface-modified TiO2 samples was red-shifted by about 0.4 eV compared to the unmodified particles. The mode of binding between vitamin B-6 and the surface Ti atoms was investigated by Fourier transform infrared spectroscopy (FTIR). From the Benesi-Hildebrand plot, the stability constant of the surface complex was found to be of the order 10(2) M-1. The experimental findings were supported by detailed quantum chemical calculations based on the density functional theory (DFT). Agreement was found between the experimentally measured absorption spectra of the TiO2 NPs surface-modified with vitamin B-6 and the theoretically calculated electronic excitation spectra of the corresponding model system.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT study",
pages = "909-899",
number = "7-8",
volume = "83",
doi = "10.2298/JSC180131044K"
}

Kovač, T., Džunuzović, E., Džunuzović, J., Milićević, B. R., Sredojević, D., Brothers, E. N.,& Nedeljković, J.. (2018). Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT study. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 83(7-8), 899-909.
https://doi.org/10.2298/JSC180131044K

Kovač T, Džunuzović E, Džunuzović J, Milićević BR, Sredojević D, Brothers EN, Nedeljković J. Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT study. in Journal of the Serbian Chemical Society. 2018;83(7-8):899-909.
doi:10.2298/JSC180131044K .

Kovač, Tijana, Džunuzović, Enis, Džunuzović, Jasna, Milićević, Bojana R., Sredojević, Dušan, Brothers, Edward N., Nedeljković, Jovan, "Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT study" in Journal of the Serbian Chemical Society, 83, no. 7-8 (2018):899-909,
https://doi.org/10.2298/JSC180131044K . .