Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study
Samo za registrovane korisnike
2017
Autori
Milicevic, BojanaĐorđević, Vesna
Lončarević, Davor
Dostanić, Jasmina
Ahrenkiel, Scott Phillip
Dramićanin, Miroslav
Sredojević, Dušan
Svrakic, Nenad M.
Nedeljković, Jovan M.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
Charge transfer complex / TiO2 / Thiosalicylic acid / Density functional theory / Sol-gelIzvor:
Optical Materials, 2017, 73, 163-171Izdavač:
- Elsevier
Finansiranje / projekti:
- Materijali redukovane dimenzionalnosti za efikasnu apsorpciju svetlosti i konverziju energije (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45020)
DOI: 10.1016/j.optmat.2017.08.011
ISSN: 0925-3467
WoS: 000414882000024
Scopus: 2-s2.0-85027410154
Institucija/grupa
IHTMTY - 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 . .