TY  - JOUR
AU  - Barbieriková, Zuzana
AU  - Šimunková, Miriama
AU  - Brezová, Vlasta
AU  - Sredojević, Dušan
AU  - Lazić, Vesna
AU  - Lončarević, Davor
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5263
AB  - The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.
PB  - Elsevier
T2  - Optical Materials
T1  - Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid
VL  - 123
SP  - 111918
DO  - 10.1016/j.optmat.2021.111918
ER  - 

@article{
author = "Barbieriková, Zuzana and Šimunková, Miriama and Brezová, Vlasta and Sredojević, Dušan and Lazić, Vesna and Lončarević, Davor and Nedeljković, Jovan",
year = "2022",
abstract = "The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.",
publisher = "Elsevier",
journal = "Optical Materials",
title = "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid",
volume = "123",
pages = "111918",
doi = "10.1016/j.optmat.2021.111918"
}

Barbieriková, Z., Šimunková, M., Brezová, V., Sredojević, D., Lazić, V., Lončarević, D.,& Nedeljković, J.. (2022). Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials
Elsevier., 123, 111918.
https://doi.org/10.1016/j.optmat.2021.111918

Barbieriková Z, Šimunková M, Brezová V, Sredojević D, Lazić V, Lončarević D, Nedeljković J. Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials. 2022;123:111918.
doi:10.1016/j.optmat.2021.111918 .

Barbieriková, Zuzana, Šimunková, Miriama, Brezová, Vlasta, Sredojević, Dušan, Lazić, Vesna, Lončarević, Davor, Nedeljković, Jovan, "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid" in Optical Materials, 123 (2022):111918,
https://doi.org/10.1016/j.optmat.2021.111918 . .

TY  - JOUR
AU  - Ðorđević, V.
AU  - Sredojević, Dušan
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Švrakić, N.
AU  - Brothers, E.
AU  - Belić, Milivoj
AU  - Nedeljković, Jovan M.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2505
AB  - Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.
PB  - Elsevier
T2  - Microporous and Mesoporous Materials
T1  - Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study
VL  - 273
SP  - 41
EP  - 49
DO  - 10.1016/j.micromeso.2018.06.053
ER  - 

@article{
author = "Ðorđević, V. and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Švrakić, N. and Brothers, E. and Belić, Milivoj and Nedeljković, Jovan M.",
year = "2019",
abstract = "Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.",
publisher = "Elsevier",
journal = "Microporous and Mesoporous Materials",
title = "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study",
volume = "273",
pages = "41-49",
doi = "10.1016/j.micromeso.2018.06.053"
}

Ðorđević, V., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Švrakić, N., Brothers, E., Belić, M.,& Nedeljković, J. M.. (2019). Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials
Elsevier., 273, 41-49.
https://doi.org/10.1016/j.micromeso.2018.06.053

Ðorđević V, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Švrakić N, Brothers E, Belić M, Nedeljković JM. Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials. 2019;273:41-49.
doi:10.1016/j.micromeso.2018.06.053 .

Ðorđević, V., Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Švrakić, N., Brothers, E., Belić, Milivoj, Nedeljković, Jovan M., "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study" in Microporous and Mesoporous Materials, 273 (2019):41-49,
https://doi.org/10.1016/j.micromeso.2018.06.053 . .

TY  - JOUR
AU  - Ðorđević, V.
AU  - Sredojević, Dušan
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Švrakić, N.
AU  - Brothers, E.
AU  - Belić, Milivoj
AU  - Nedeljković, Jovan M.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2908
AB  - Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.
PB  - Elsevier
T2  - Microporous and Mesoporous Materials
T1  - Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study
VL  - 273
SP  - 41
EP  - 49
DO  - 10.1016/j.micromeso.2018.06.053
ER  - 

@article{
author = "Ðorđević, V. and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Švrakić, N. and Brothers, E. and Belić, Milivoj and Nedeljković, Jovan M.",
year = "2019",
abstract = "Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.",
publisher = "Elsevier",
journal = "Microporous and Mesoporous Materials",
title = "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study",
volume = "273",
pages = "41-49",
doi = "10.1016/j.micromeso.2018.06.053"
}

Ðorđević, V., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Švrakić, N., Brothers, E., Belić, M.,& Nedeljković, J. M.. (2019). Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials
Elsevier., 273, 41-49.
https://doi.org/10.1016/j.micromeso.2018.06.053

Ðorđević V, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Švrakić N, Brothers E, Belić M, Nedeljković JM. Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials. 2019;273:41-49.
doi:10.1016/j.micromeso.2018.06.053 .

Ðorđević, V., Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Švrakić, N., Brothers, E., Belić, Milivoj, Nedeljković, Jovan M., "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study" in Microporous and Mesoporous Materials, 273 (2019):41-49,
https://doi.org/10.1016/j.micromeso.2018.06.053 . .

TY  - JOUR
AU  - Prekajski Đorđević, Marija
AU  - Vukoje, Ivana
AU  - Lazić, Vesna
AU  - Đorđević, Vesna
AU  - Sredojević, Dušan
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Belić, Milivoj
AU  - Nedeljković, Jovan M.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3320
AB  - Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with
salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol,
3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in
the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization
involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms,
revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure
and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface
of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region.
The density functional theory calculations with properly design model systems were performed to estimate the
alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated
values and experimental data was found.
PB  - England : Elsevier
T2  - Materials Chemistry and Physics
T1  - Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study
VL  - 236
SP  - 121816
DO  - 10.1016/j.matchemphys.2019.121816
ER  - 

@article{
author = "Prekajski Đorđević, Marija and Vukoje, Ivana and Lazić, Vesna and Đorđević, Vesna and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Belić, Milivoj and Nedeljković, Jovan M.",
year = "2019",
abstract = "Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with
salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol,
3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in
the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization
involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms,
revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure
and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface
of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region.
The density functional theory calculations with properly design model systems were performed to estimate the
alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated
values and experimental data was found.",
publisher = "England : Elsevier",
journal = "Materials Chemistry and Physics",
title = "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study",
volume = "236",
pages = "121816",
doi = "10.1016/j.matchemphys.2019.121816"
}

Prekajski Đorđević, M., Vukoje, I., Lazić, V., Đorđević, V., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Belić, M.,& Nedeljković, J. M.. (2019). Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics
England : Elsevier., 236, 121816.
https://doi.org/10.1016/j.matchemphys.2019.121816

Prekajski Đorđević M, Vukoje I, Lazić V, Đorđević V, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Belić M, Nedeljković JM. Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics. 2019;236:121816.
doi:10.1016/j.matchemphys.2019.121816 .

Prekajski Đorđević, Marija, Vukoje, Ivana, Lazić, Vesna, Đorđević, Vesna, Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Belić, Milivoj, Nedeljković, Jovan M., "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study" in Materials Chemistry and Physics, 236 (2019):121816,
https://doi.org/10.1016/j.matchemphys.2019.121816 . .

TY  - JOUR
AU  - Kovač, Tijana
AU  - Džunuzović, Enis S.
AU  - Džunuzović, Jasna
AU  - Milićević, Bojana
AU  - Sredojević, Dušan
AU  - Brothers, Edward N
AU  - Nedeljković, Jovan M.
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2422
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.
AB  - Површинска модификација наночестица титан-диоксида (ТiО2) биолошки активним молекулима пиридоксин-хидрохлорида (витамин B6) доводи до промене њихових оптичких својства. Микроструктурна карактеризација синтетисаних наночестица ТiО2 која обухвата трансмисиону електронску микроскопију (ТЕМ) и дифракцију рендгенских зрака (XRD) показала је да наночестице анатаза имају уску дистрибуцију величина са средњим пречником од 45 Å. Праг апсорпције површински модификованих наночестица ТiО2 је за 0,4 еV померен ка већим таласним дужинама у односу на спектар немодификованих честица. Коришћењем FTIR спектроскопије утврђен је начин везивања
витамина B6 за површинске атоме титана. Константа стабилности површинског комплекса је одређена на основу Бенеси–Хилдебрандове (Benesi–Hildebrand) анализе и износи 3,0×102 М-1. Експериментални резултати су поткрепљени детаљним квантно-хемијским прорачунима заснованим на теорији функционала густине (DFT). Утврђен је висок ниво сагласности између апсорпционог спектра наночестица ТiО2 и теоријски добијеног електронског ексцитационог спектра одговарајућег модела.
PB  - Belgrade : Serbian Chemical Society
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
T1  - Апсорпција наночестица TiO2 површински модификованих витамином B6 у видљивом делу спектра: упоредна експериментална и DFT студија
VL  - 83
IS  - 7-8
SP  - 899
EP  - 909
DO  - 10.2298/JSC180131044K
ER  - 

@article{
author = "Kovač, Tijana and Džunuzović, Enis S. and Džunuzović, Jasna and Milićević, Bojana and Sredojević, Dušan and Brothers, Edward N and Nedeljković, Jovan M.",
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., Површинска модификација наночестица титан-диоксида (ТiО2) биолошки активним молекулима пиридоксин-хидрохлорида (витамин B6) доводи до промене њихових оптичких својства. Микроструктурна карактеризација синтетисаних наночестица ТiО2 која обухвата трансмисиону електронску микроскопију (ТЕМ) и дифракцију рендгенских зрака (XRD) показала је да наночестице анатаза имају уску дистрибуцију величина са средњим пречником од 45 Å. Праг апсорпције површински модификованих наночестица ТiО2 је за 0,4 еV померен ка већим таласним дужинама у односу на спектар немодификованих честица. Коришћењем FTIR спектроскопије утврђен је начин везивања
витамина B6 за површинске атоме титана. Константа стабилности површинског комплекса је одређена на основу Бенеси–Хилдебрандове (Benesi–Hildebrand) анализе и износи 3,0×102 М-1. Експериментални резултати су поткрепљени детаљним квантно-хемијским прорачунима заснованим на теорији функционала густине (DFT). Утврђен је висок ниво сагласности између апсорпционог спектра наночестица ТiО2 и теоријски добијеног електронског ексцитационог спектра одговарајућег модела.",
publisher = "Belgrade : Serbian Chemical Society",
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, Апсорпција наночестица TiO2 површински модификованих витамином B6 у видљивом делу спектра: упоредна експериментална и DFT студија",
volume = "83",
number = "7-8",
pages = "899-909",
doi = "10.2298/JSC180131044K"
}

Kovač, T., Džunuzović, E. S., Džunuzović, J., Milićević, B., Sredojević, D., Brothers, E. N.,& Nedeljković, J. M.. (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
Belgrade : Serbian Chemical Society., 83(7-8), 899-909.
https://doi.org/10.2298/JSC180131044K

Kovač T, Džunuzović ES, Džunuzović J, Milićević B, Sredojević D, Brothers EN, Nedeljković JM. 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 S., Džunuzović, Jasna, Milićević, Bojana, Sredojević, Dušan, Brothers, Edward N, Nedeljković, Jovan M., "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 . .

TY  - JOUR
AU  - Milicevic, Bojana
AU  - Đorđević, Vesna
AU  - Lončarević, Davor
AU  - Dostanić, Jasmina
AU  - Ahrenkiel, Scott Phillip
AU  - Dramićanin, Miroslav
AU  - Sredojević, Dušan
AU  - Svrakic, Nenad M.
AU  - Nedeljković, Jovan M.
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2088
AB  - Under normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA.
PB  - Elsevier
T2  - Optical Materials
T1  - Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study
VL  - 73
SP  - 163
EP  - 171
DO  - 10.1016/j.optmat.2017.08.011
ER  - 

@article{
author = "Milicevic, Bojana and Đorđević, Vesna and Lončarević, Davor and Dostanić, Jasmina and Ahrenkiel, Scott Phillip and Dramićanin, Miroslav and Sredojević, Dušan and Svrakic, Nenad M. and Nedeljković, Jovan M.",
year = "2017",
abstract = "Under normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA.",
publisher = "Elsevier",
journal = "Optical Materials",
title = "Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study",
volume = "73",
pages = "163-171",
doi = "10.1016/j.optmat.2017.08.011"
}

Milicevic, B., Đorđević, V., Lončarević, D., Dostanić, J., Ahrenkiel, S. P., Dramićanin, M., Sredojević, D., Svrakic, N. M.,& Nedeljković, J. M.. (2017). Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study. in Optical Materials
Elsevier., 73, 163-171.
https://doi.org/10.1016/j.optmat.2017.08.011

Milicevic B, Đorđević V, Lončarević D, Dostanić J, Ahrenkiel SP, Dramićanin M, Sredojević D, Svrakic NM, Nedeljković JM. Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study. in Optical Materials. 2017;73:163-171.
doi:10.1016/j.optmat.2017.08.011 .

Milicevic, Bojana, Đorđević, Vesna, Lončarević, Davor, Dostanić, Jasmina, Ahrenkiel, Scott Phillip, Dramićanin, Miroslav, Sredojević, Dušan, Svrakic, Nenad M., Nedeljković, Jovan M., "Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study" in Optical Materials, 73 (2017):163-171,
https://doi.org/10.1016/j.optmat.2017.08.011 . .

TY  - JOUR
AU  - Đorđević, Vesna
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Sredojević, Dušan
AU  - Svrakic, Nenad
AU  - Belić, Milivoj
AU  - Nedeljković, Jovan M.
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2160
AB  - Detailed study of Al2O3, an insulator with the band gap of about 8.7 eV, and its different organic/inorganic charge transfer complexes with visible-light photo activity is presented. In particular, prepared Al2O3 particles of the size 0.1-0.3 mu m are coated with several organic complexes - the specific details for catecholate- and salicylate-type of ligands are described below - and the light absorption properties and photocatalytic activity of such hybrids are scrutinized and compared with those of other organic/inorganic hybrid materials previously studied. In addition, the obtained experimental results are supported with quantum chemical calculations based on density functional theory.
PB  - Elsevier
T2  - Chemical Physics Letters
T1  - Hybrid visible-light responsive Al2O3 particles
VL  - 685
SP  - 416
EP  - 421
DO  - 10.1016/j.cplett.2017.08.012
ER  - 

@article{
author = "Đorđević, Vesna and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Sredojević, Dušan and Svrakic, Nenad and Belić, Milivoj and Nedeljković, Jovan M.",
year = "2017",
abstract = "Detailed study of Al2O3, an insulator with the band gap of about 8.7 eV, and its different organic/inorganic charge transfer complexes with visible-light photo activity is presented. In particular, prepared Al2O3 particles of the size 0.1-0.3 mu m are coated with several organic complexes - the specific details for catecholate- and salicylate-type of ligands are described below - and the light absorption properties and photocatalytic activity of such hybrids are scrutinized and compared with those of other organic/inorganic hybrid materials previously studied. In addition, the obtained experimental results are supported with quantum chemical calculations based on density functional theory.",
publisher = "Elsevier",
journal = "Chemical Physics Letters",
title = "Hybrid visible-light responsive Al2O3 particles",
volume = "685",
pages = "416-421",
doi = "10.1016/j.cplett.2017.08.012"
}

Đorđević, V., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Sredojević, D., Svrakic, N., Belić, M.,& Nedeljković, J. M.. (2017). Hybrid visible-light responsive Al2O3 particles. in Chemical Physics Letters
Elsevier., 685, 416-421.
https://doi.org/10.1016/j.cplett.2017.08.012

Đorđević V, Dostanić J, Lončarević D, Ahrenkiel SP, Sredojević D, Svrakic N, Belić M, Nedeljković JM. Hybrid visible-light responsive Al2O3 particles. in Chemical Physics Letters. 2017;685:416-421.
doi:10.1016/j.cplett.2017.08.012 .

Đorđević, Vesna, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Sredojević, Dušan, Svrakic, Nenad, Belić, Milivoj, Nedeljković, Jovan M., "Hybrid visible-light responsive Al2O3 particles" in Chemical Physics Letters, 685 (2017):416-421,
https://doi.org/10.1016/j.cplett.2017.08.012 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Petrović, Predrag V.
AU  - Janjić, Goran
AU  - Brothers, Edward N
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1998
AB  - The strength of the stacking interactions in the bipy complexes of nickel, palladium, and platinum, [M(CN)(2)bipy](2) (M=Ni, Pd, Pt), was calculated using the omega B97xD/def2-TZVP method. The results show that for all considered geometries, interactions are the strongest for platinum, and weakest for nickel complexes, as a result of higher dispersion contributions of platinum over the palladium and nickel complexes. It was also shown that strength of interactions considerably rises with an increase of the stacking overlap area. As a consequence of the favorable electrostatic term, the strength of interactions also rises when metal atom and cyano ligands are involved in the overlap with bipy ligand. The strongest interaction was calculated in the platinum complex, for the geometry that has overlap of metal and cyano ligands with bipy ligand with an energy of -39.80 kcal mol(-1). The energies for similar geometries of palladiumand nickel complexes are -34.60 and -32.45 kcal mol(-1). These energies, remarkably, exceed the strength of the stacking interactions between organic aromatic molecules. These results can be of importance in all systems with stacking interactions, from materials to biomolecules.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions
VL  - 22
IS  - 1
DO  - 10.1007/s00894-015-2888-6
ER  - 

@article{
author = "Sredojević, Dušan and Petrović, Predrag V. and Janjić, Goran and Brothers, Edward N and Hall, Michael B. and Zarić, Snežana D.",
year = "2016",
abstract = "The strength of the stacking interactions in the bipy complexes of nickel, palladium, and platinum, [M(CN)(2)bipy](2) (M=Ni, Pd, Pt), was calculated using the omega B97xD/def2-TZVP method. The results show that for all considered geometries, interactions are the strongest for platinum, and weakest for nickel complexes, as a result of higher dispersion contributions of platinum over the palladium and nickel complexes. It was also shown that strength of interactions considerably rises with an increase of the stacking overlap area. As a consequence of the favorable electrostatic term, the strength of interactions also rises when metal atom and cyano ligands are involved in the overlap with bipy ligand. The strongest interaction was calculated in the platinum complex, for the geometry that has overlap of metal and cyano ligands with bipy ligand with an energy of -39.80 kcal mol(-1). The energies for similar geometries of palladiumand nickel complexes are -34.60 and -32.45 kcal mol(-1). These energies, remarkably, exceed the strength of the stacking interactions between organic aromatic molecules. These results can be of importance in all systems with stacking interactions, from materials to biomolecules.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions",
volume = "22",
number = "1",
doi = "10.1007/s00894-015-2888-6"
}

Sredojević, D., Petrović, P. V., Janjić, G., Brothers, E. N., Hall, M. B.,& Zarić, S. D.. (2016). The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions. in Journal of Molecular Modeling
Springer, New York., 22(1).
https://doi.org/10.1007/s00894-015-2888-6

Sredojević D, Petrović PV, Janjić G, Brothers EN, Hall MB, Zarić SD. The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions. in Journal of Molecular Modeling. 2016;22(1).
doi:10.1007/s00894-015-2888-6 .

Sredojević, Dušan, Petrović, Predrag V., Janjić, Goran, Brothers, Edward N, Hall, Michael B., Zarić, Snežana D., "The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions" in Journal of Molecular Modeling, 22, no. 1 (2016),
https://doi.org/10.1007/s00894-015-2888-6 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Ninković, Dragan B.
AU  - Janjić, Goran
AU  - Zhou, Jia
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1339
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies
VL  - 14
IS  - 9
SP  - 1797
EP  - 1800
DO  - 10.1002/cphc.201201062
ER  - 

@article{
author = "Sredojević, Dušan and Ninković, Dragan B. and Janjić, Goran and Zhou, Jia and Hall, Michael B. and Zarić, Snežana D.",
year = "2013",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies",
volume = "14",
number = "9",
pages = "1797-1800",
doi = "10.1002/cphc.201201062"
}

Sredojević, D., Ninković, D. B., Janjić, G., Zhou, J., Hall, M. B.,& Zarić, S. D.. (2013). Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 14(9), 1797-1800.
https://doi.org/10.1002/cphc.201201062

Sredojević D, Ninković DB, Janjić G, Zhou J, Hall MB, Zarić SD. Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem. 2013;14(9):1797-1800.
doi:10.1002/cphc.201201062 .

Sredojević, Dušan, Ninković, Dragan B., Janjić, Goran, Zhou, Jia, Hall, Michael B., Zarić, Snežana D., "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies" in Chemphyschem, 14, no. 9 (2013):1797-1800,
https://doi.org/10.1002/cphc.201201062 . .

TY  - JOUR
AU  - Ninković, Dragan B.
AU  - Janjić, Goran
AU  - Veljković, Dušan
AU  - Sredojević, Dušan
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/878
PB  - Wiley-Blackwell, Malden
T2  - Chemphyschem
T1  - What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements
VL  - 12
IS  - 18
SP  - 3511
EP  - 3514
DO  - 10.1002/cphc.201100777
ER  - 

@article{
author = "Ninković, Dragan B. and Janjić, Goran and Veljković, Dušan and Sredojević, Dušan and Zarić, Snežana D.",
year = "2011",
publisher = "Wiley-Blackwell, Malden",
journal = "Chemphyschem",
title = "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements",
volume = "12",
number = "18",
pages = "3511-3514",
doi = "10.1002/cphc.201100777"
}

Ninković, D. B., Janjić, G., Veljković, D., Sredojević, D.,& Zarić, S. D.. (2011). What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem
Wiley-Blackwell, Malden., 12(18), 3511-3514.
https://doi.org/10.1002/cphc.201100777

Ninković DB, Janjić G, Veljković D, Sredojević D, Zarić SD. What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem. 2011;12(18):3511-3514.
doi:10.1002/cphc.201100777 .

Ninković, Dragan B., Janjić, Goran, Veljković, Dušan, Sredojević, Dušan, Zarić, Snežana D., "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements" in Chemphyschem, 12, no. 18 (2011):3511-3514,
https://doi.org/10.1002/cphc.201100777 . .