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Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study

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2017
Authors
Milicevic, Bojana
Đorđević, Vesna
Lončarević, Davor
Dostanić, Jasmina
Ahrenkiel, Scott Phillip
Dramićanin, Miroslav
Sredojević, Dušan
Svrakic, Nenad M.
Nedeljković, Jovan M.
Article (Published version)
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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 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.

Keywords:
Charge transfer complex / TiO2 / Thiosalicylic acid / Density functional theory / Sol-gel
Source:
Optical Materials, 2017, 73, 163-171
Publisher:
  • Elsevier Science Bv, Amsterdam
Projects:
  • Materials of Reduced Dimensions for Efficient Light Harvesting and Energy conversion (RS-45020)

DOI: 10.1016/j.optmat.2017.08.011

ISSN: 0925-3467

WoS: 000414882000024

Scopus: 2-s2.0-85027410154
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URI
http://cer.ihtm.bg.ac.rs/handle/123456789/2088
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