In this study, titania nanoparticles were obtained using the microwave-assisted technique. Moreover, different surfactants (PEG (M_n = 400), Pluronic P123 and Triton X−100) were used during the synthesis in order to determine their impact on the crystallinity and morphology of the final products. Subsequently, techniques such as XRD, SEM and TEM (performed in high contrast and high-resolution mode), diffuse reflectance spectroscopy (DRS), low temperature N₂ sorption (BET model), FTIR and TGA were carried out. Based on the crystallinity analysis of the obtained materials, it was established that the addition of surfactants results in greater (PEG and Triton X−100) or smaller (Pluronic P123) average crystallite size. The main purpose of this study was to use the synthesized nanomaterials in the photodegradation process (in the UV light range) of the model organic pollutants – phenol (20 mg/L) and etodolac (15 mg/L). Furthermore, it was also pointed out that the dye-sensitized solar cells can be a second application for the synthesized titania nanomaterials. The photo-oxidation and photovoltaic tests have shown that the titanium dioxide obtained using the surfactant-assisted microwave method is characterized not only by better photodegradation efficiency of phenol and etodolac, but also by higher photocurrent density compared to the reference titania samples—the pristine TiO₂ and commercial P25.

The main goal of the study was the hydrothermal-assisted synthesis of TiO₂-ZnO systems and their subsequent use in photoactive processes. Additionally, an important objective was to propose a method for synthesizing TiO₂-ZnO systems enabling the control of crystallinity and morphology through epitaxial growth of ZnO nanowires. Based on the results of X-ray diffraction analysis, in the case of materials containing a small addition of ZnO (≥5 wt.%), no crystalline phase of wurtzite was observed, proving that a high amount of modified titanium dioxide can inhibit the crystallization of ZnO. The transmission electron microscopy (TEM) results confirmed the formation of ZnO nanowires for systems containing ≥ 5% ZnO. Moreover, for the synthesized systems, there were no significant changes in the band gap energy. One of the primary purposes of this study was to test the TiO₂-ZnO system in the photodegradation process of 4-chlorophenol using low-power UV-LED lamps. The results of photo-oxidation studies showed that the obtained binary systems exhibit good photodegradation and mineralization efficiency. Additionally, it was also pointed out that the dye-sensitized solar cells can be a second application for the synthesized TiO₂-ZnO binary systems.

A series of pure and doped TiO₂ nanomaterials with different Zr⁴⁺ ions content have been synthesized by the simple sol-gel method. Both types of materials (nanopowders and nanofilms scratched off of the working electrode’s surface) have been characterized in detail by XRD, TEM, and Raman techniques. Inserting dopant ions into the TiO₂ structure has resulted in inhibition of crystal growth and prevention of phase transformation. The role of Zr⁴⁺ ions in this process was explained by performing computer simulations. The three structures such as pure anatase, Zr-doped TiO₂, and tetragonal ZrO₂ have been investigated using density functional theory extended by Hubbard correction. The computational calculations correlate well with experimental results. Formation of defects and broadening of energy bandgap in defected Zr-doped materials have been confirmed. It turned out that the oxygen vacancies with substituting Zr⁴⁺ ions in TiO₂ structure have a positive influence on the performance of dye-sensitized solar cells. The overall photoconversion efficiency enhancement up to 8.63% by introducing 3.7% Zr⁴⁺ ions into the TiO₂ has been confirmed by I-V curves, EIS, and IPCE measurements. Such efficiency of DSSC utilizing the working electrode made by Zr⁴⁺ ions substituted into TiO₂ material lattice has been for the first time reported.

Very recently, we have reported the synthesis and evaluation of biological properties of new merocyanine dyes composed of triphenylamine moiety, π-aromatic spacer, and rhodanine/2-thiohydantoin-based moiety. Interestingly, 2-thiohydantoin has never been studied before as an electron-accepting/anchoring group for the dye-sensitized solar cells (DSSCs). In the presented study, we examined the applicability of 2-thiohydantoin, an analog of rhodanine, in DSSC technology. The research included theoretical calculations, electrochemical measurements, optical characterization, and tests of the solar cells. As a result, we proved that 2-thiohydantoin might be considered as an acceptor/anchoring group since all the compounds examined in this study were active. The most efficient device showed power conversion efficiency of 2.59%, which is a promising value for molecules of such a simple structure. It was found that the cells’ performances were mainly attributed to the dye loading and the ICT molecular absorption coefficients, both affected by the differences in the chemical structure of the dyes. Moreover, the effect of the aromatic spacer size and the introduction of carboxymethyl co-anchoring group on photovoltaic properties was observed and discussed.