Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study
Само за регистроване кориснике
2017
Аутори
Milićević, Bojana R.Đorđević, Vesna R.
Lončarević, Davor
Dostanić, Jasmina
Ahrenkiel, Scott Phillip
Dramićanin, Miroslav
Sredojević, Dušan
Švrakić, Nenad M.
Nedeljković, Jovan
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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 d...ifferences, 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. (C) 2017 Elsevier B.V. All rights reserved.
Кључне речи:
Charge transfer complex / TiO2 / Thiosalicylic acid / Density functional theory / Sol-gelИзвор:
Optical Materials, 2017, 73, 163-171Финансирање / пројекти:
- Материјали редуковане димензионалности за ефикасну апсорпцију светлости и конверзију енергије (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45020)
DOI: 10.1016/j.optmat.2017.08.011
ISSN: 0925-3467; 1873-1252
WoS: 000414882000024
Scopus: 2-s2.0-85027410154
Институција/група
VinčaTY - JOUR AU - Milićević, Bojana R. AU - Đorđević, Vesna R. AU - Lončarević, Davor AU - Dostanić, Jasmina AU - Ahrenkiel, Scott Phillip AU - Dramićanin, Miroslav AU - Sredojević, Dušan AU - Švrakić, Nenad M. AU - Nedeljković, Jovan PY - 2017 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1815 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. (C) 2017 Elsevier B.V. All rights reserved. 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 = "Milićević, Bojana R. and Đorđević, Vesna R. and Lončarević, Davor and Dostanić, Jasmina and Ahrenkiel, Scott Phillip and Dramićanin, Miroslav and Sredojević, Dušan and Švrakić, Nenad M. and Nedeljković, Jovan", 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. (C) 2017 Elsevier B.V. All rights reserved.", 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" }
Milićević, B. R., Đorđević, V. R., Lončarević, D., Dostanić, J., Ahrenkiel, S. P., Dramićanin, M., Sredojević, D., Švrakić, N. M.,& Nedeljković, J.. (2017). Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study. in Optical Materials, 73, 163-171. https://doi.org/10.1016/j.optmat.2017.08.011
Milićević BR, Đorđević VR, Lončarević D, Dostanić J, Ahrenkiel SP, Dramićanin M, Sredojević D, Švrakić NM, Nedeljković J. 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 .
Milićević, Bojana R., Đorđević, Vesna R., Lončarević, Davor, Dostanić, Jasmina, Ahrenkiel, Scott Phillip, Dramićanin, Miroslav, Sredojević, Dušan, Švrakić, Nenad M., Nedeljković, Jovan, "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 . .