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Theoretical modeling and preparation of titanium(IV) oxide catalysts modified by d-metal deposition for application in the photodegradation of ciprofloxacin
No full textОва дисертација обухвата теоријско моделовање и припрему TiO2 катализатора модификованих депозицијом одабраних d-метала, при чему се добијају сродни материјали различитих електронских својстава, са циљем њихове примене у фотокаталитичкој деградацији ципрофлоксацина. Метали за депозицију (Cu, Pt, Pd, Fe, Zr) одабрани су након компаративног DFT тестирања енергија адхезије. Припремљени катализатори су карактерисани савременим техникама структурне анализе укључујући XRPD, SEM-EDS и ICP-OES. Ципрофлоксацин (CIP), због лаке детекције, представља погодан модел за испитивање уклањања антибиотика из воде. Процес деградације је праћен путем спектрофотометрије, LC-MS/MS и TOC анализе. Резултати су показали да модификација TiO2 различитим d-металима утиче на брзину и ефикасност разградње CIP. Са аспекта механизма, доказана је значајна улога OH-радикала као оксидујуће врсте у процесу фотодеградације. Теоријска карактеризација испитиваних материјала DFT методом (прорачуни енергије везе OH-радикала на металом модификованим површинама, као и електронских структура) имала је кључну улогу у развоју предиктивног модела реактивности испитиваних материјала, у чијој је основи енергија везе исптиваних материјала са OH-радикалом. Ово истраживање представља иновативни поглед на испитиване аспекте фотокаталитичке деградације и даје смернице за даљи развој ефикаснијих и одрживих метода за пречишћавање вода загађених фармацеутским супстанцама.This dissertation encompasses theoretical modeling and the preparation of TiO2 catalysts modified by the deposition of selected d-metals, resulting in related materials with different electronic properties, with the aim of their application in the photocatalytic degradation of ciprofloxacin. The metals chosen for deposition (Cu, Pt, Pd, Fe, Zr) were selected after comparative DFT testing of adhesion energies. The prepared catalysts were characterized using advanced structural analysis techniques, including XRPD, SEM-EDS, and ICP-OES. Ciprofloxacin (CIP), due to its easy detection, serves as a suitable model compound for studying the removal of antibiotics from water. The degradation process was monitored using spectrophotometry, LC-MS/MS, and TOC analysis. The results showed that modification of TiO₂ with different d-metals affects the rate and efficiency of CIP degradation. From a mechanistic perspective, the significant role of OH radicals as oxidizing species in the photodegradation process was demonstrated. Theoretical characterization of the investigated materials using DFT (calculations of OH radical binding energy on metal-modified surfaces, as well as electronic structures) played a key role in the development of a predictive model of reactivity of the studied materials, based on their binding energy with OH radicals. This research presents an innovative perspective on the studied aspects of photocatalytic degradation and provides guidance for the further development of more efficient and sustainable methods for the purification of water contaminated with pharmaceutical substances
Poly(Ionic Liquid) engineering for improved environmental stability of FAPbI₃ perovskite thin films
No full textPerovskite solar cells (PSCs) have gained significant attention due to their high-power conversion efficiencies (exceeding 25%) and low fabrication costs. Among various perovskite compositions, formamidinium lead iodide (FAPbI3) stands out for its optimal bandgap and favorable optoelectronic properties. However, its commercial potential is limited by poor long-term stability. Environmental stressors such as moisture, ultraviolet (UV) radiation, and elevated temperatures induce phase transitions and chemical degradation in FAPbI₃, including the transformation from the photoactive black α-phase to the non-photoactive yellow δ-phase, as well as eventual decomposition into PbI₂. These effects lead to reduced efficiency and device failure. In this study, two polymerized ionic liquids (PILs)—poly(lithium bis(trifluoromethanesulfonyl)imide) ([PMTFSI]Li) and poly(imidazolium bis(trifluoromethanesulfonyl)imide) ([PMTFSI][DCMIm]) were incorporated as additives to improve the environmental stability of FAPbI₃ films. PILs are polyelectrolytes with ionic groups in their polymer chains, offering high ionic conductivity, low volatility, strong hydrophobicity, and excellent thermal and electrochemical stability. These properties make them attractive candidates for defect passivation and interfacial stabilization in perovskite materials. The degradation behavior of both pristine and PIL-modified FAPbI₃ films was examined under controlled exposure to moisture, UV radiation, and elevated temperatures. Structural and chemical changes were monitored using UV–Vis spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction, and scanning electron microscopy. The results demonstrate that the addition of both PILs enhanced the resistance of FAPbI₃ films to environmental degradation. The modified films exhibited slower phase transitions, improved morphological stability, and prolonged structuralintegrity. These findings support the use of TFSI-based PILs as a promising strategy for improving the long-term durability and practical viability of perovskite solar cell technologies.5th International Meeting on Materials Science for Energy Related Applications, September 25-26, 2025, Belgrade
Microwave-fabricated carbon quantum dots as advanced adsorbents for organic dye removal: a case study with methylene blue
No full textIndustries such as textiles, leather, food and cosmetics produce and discharge, on a daily basis, untreated effluents containing organic dyes into water streams without adequate treatment. The common organic dyes, Methylene Blue, Rose Bengal, Rhodamine B, are among the major water pollutants [1, 2]. Carbon quantum dots (CQDs) are a new class of carbon nanomaterials which have attracted significant attention due to their physicochemical properties. This includes good biocompatibility, unique optical properties (absorption, tunable photoluminiscence), low production cost, simple synthesis routes, environmental friendliness, water solubility, high stability, electron mobility, as well as the possibility of heteroatoms doping (N, B, P), which further enhance the already unique properties of these materials [3, 4]. N-doped, S-doped CQD among others, have demonstrated strong performances in degradation of organic dyes under UV-light irradiation [1, 5, 6]. Pristine CQDs have shown strong photocatalytic/adsorption efficiency in removing organic dye under visible light [7]. In presented work, pristine CQDs were synthesized by the microwave assisted method as a simple, fast and green synthesis method. This method provides unique and fast heating of the reaction mixture, economic efficiency and satisfactory yield. Produced pristine CQDs showed the ability to adsorb organic dye, such as Methylene Blue, by 51% within a short reaction time (15 minutes), in addition to the photocatalytic activity. Obtained results suggest the potential of pristine CQD to be used in wastewater treatment, sensors, or other technological applications.5th International Meeting on Materials Science for Energy Related Applications, September 25-26, 2025, Belgrade
Ionic Liquid-enhanced Multifunctional Electrolytes for Hydrogen Evolution Reaction and Zn-based Batteries
No full textThe growing demand for efficient energy storage and conversion systems has driven the exploration of advanced electrolytes, including ionic liquids (ILs), for improving hydrogen evolution reaction (HER) and performance of Zn-based batteries. In this study, we investigated the effects of five ILs - four newly synthesized choline-based ILs ([Ch][Sal], [Ch][Sac], [Ch][Ace], [Ch][Lac]) and one commercial IL ([Bmim][BF4]) - as additives to enhance electrolyte performance for both HER and Zn-ion batteries. Electrochemical measurements were conducted to evaluate their impact on HER efficiency and inhibition of Zn dendrite growth in Zn-ion batteries. The addition of ILs significantly shifted the HER onset potential to more positive values, increased the current density and influenced the Tafel´s slopes. In Zn-ion batteries, [Ch][Sac] demonstrated superior performance by stabilizing voltage and inhibiting dendrite growth, while [Ch][Sal] accelerated dendrite formation, leading to faster short-circuiting. These findings highlight the potential of specific ILs to optimize electrochemical processes and open up new possibilities for their application in advanced energy technologies.9th International Hydrogen Technologies Congress, 25-28 May 2025
Assessment of mercury content in different fuel types
No full textMercury is a highly toxic trace element that poses a serious global environmental threat due to its mutagenic properties, persistence in ecosystems, and its capacity for bioaccumulation. Combustion of fossil fuels, particularly coal, is one of the primary sources of atmospheric mercury emissions, prompting many countries to implement stringent regulatory limits. In response, this study aims to investigate and compare the mercury content in various types of coal and biomass fuels (wood chips and pellets) to evaluate their environmental suitability for energy production. The results demonstrate a clear and substantial difference in mercury concentrations between the two fuel groups. All analyzed coal samples contain significantly higher levels of mercury compared to biomass fuels. This variation is strongly influenced by sulfur content and other key fuel quality parameters, including calorific value, ash content, and elemental composition. These findings are essential for understanding how intrinsic fuel properties affect mercury emissions during combustion. Ultimately, the study aims to inform cleaner energy production practices by guiding fuel selection and optimizing combustion technologies to minimize environmental mercury release.IOC2025 : 56th International October Conference on Mining and Metallurgy; October 22-25, 2025, Bor Lake, Serbia
The role of leached iron from BiFeO3 photocatalyst for water treatment
No full textBismuth ferrite (BiFeO3) powder was synthesized by the auto-combustion method and tested as a photocatalyst
for the degradation of methylene blue in water solutions. Structural studies showed good formation of the
perovskite BiFeO3 phase with high crystallinity and almost no organic residues as confirmed by thermal analysis.
The powder was formed of nanoparticles of several hundred nanometers in diameter agglomerated in bigger,
porous particles of several micrometers, as observed by scanning electron microscopy (SEM). Point-of-zero
charge of the powder was determined to be at pH 6.5, while the optical band gap of the synthesized BiFeO3
was 2.18 eV, calculated using diffuse reflectance spectroscopy results. Up to 70 % of methylene blue was
decolorized after four hours of exposure to light in the presence of BiFeO3 as a photocatalyst, with a higher
decolorization rate under the visible light than under the mixture of visible and ultraviolet light. The presence of
hydrogen peroxide noticeably helped the degradation of methylene blue in acidic conditions through Fenton-like
processes, enabling total decolorization in 3 h. Mechanism study implied the hydroxyl radicals were the main
oxidative active species, and the reusability test confirmed good stability after several repetitions. Leached iron
plays an important role in photocatalytic properties through homogeneous photocatalysis, showing a significant
decolorization rate even at a concentration as low as 10����� 5 mol/dm3 and contributing to the photocatalytic
processes in acidic conditions
Issue of heat pumps and climate change in continental climate
No full text40. Međunarodno savetovanje Energetika 2025, 14-17. april 2025., Zlatibor
Modification of the stoichiometric and the reduced SnO2 (110) surface by transition metal doping: density functional study
No full textSnO₂ is a wide gap semiconductor, which has excellent properties for selective detection of various gases, catalysis and optoelectronic devices. Many experimental studies showed that the transition metal (TM) doping is a way to enhance its performances. Using the modified density functional calculations we study the relative stability of the stoichiometric and the reduced SnO₂ (110) surfaces, as well as the influence of transition metals doping on their stability and electronic structure. In our study we consider models of the surface with different positions and concentrations of oxygen vacancies. We find that the substitutional doping of TM for Sn induces the structural relaxation and the charge modification around the involved atoms. In some of the investigated cases it also introduces surface states within the band gap. The obtained results for the structural relaxations and energetics are compared with available previous theoretical and experimental data.FEMS EUROMAT 2025 : 18th European Congress and Exhibition on Advanced Materials and Processes : 14-18 September 2025, Granada, Spain
Influence of the Process Parameters on Physical Properties of CuMCs
No full textCopper matrix composites (CuMCs) are advanced materials that combine the superior electrical and thermal conductivity of copper with the enhanced strength, hardness, and wear resistance of the reinforcing phases. Due to this unique combination of properties, CuMCs are widely used in electrical contacts, heat sinks, braking systems, and aerospace components. The samples manufactured in this study were obtained after 30h of mechanical alloying, at a 10:1 ball-to-powder ratio. After the powders were mechanically alloyed, they were subjected to three different powders’ consolidation techniques: (i.) cold pressing followed by sintering, (ii.) hot pressing and (iii.) spark plasma sintering (SPS). Obtained results of dislocation densities (DD) revealed that highest DD values are recorded at SPS samples, then for hot-pressed samples and lowest at sintered samples for both pure copper and Cu based composites. These findings are in agreement with determined macro hardness results. The lowest values of electrical and thermal conductivities are recorded after sintering at both pure copper and CuMCs samples. On the other hand, values of electrical and thermal conductivities of pure copper show the highest values after hot pressing while highest values of observed CuMCs are reached after SPS. Furthermore, values of electrical and thermal conductivities of pure copper show the highest values after hot pressing while highest values of observed CuMCs are reached after SPS. Deviation that the hot-pressed pure copper sample exhibits slightly better conductivity compared to the sample after SPS could be a consequence of lower electron scattering at grain boundaries and lower porosity.26th YuCorr International Conference, November 3-5, 2025, Palić, Serbia
Adsorption/photocatalytic Degradation of Congo Red Using UiO-66 MOF and Activated Carbon Under Natural Solar Irradiation
No full textThe presence of synthetic dyes in industrial effluents poses a significant environmental concern due to their high stability and toxicity. This study investigates the removal of Congo Red (CR) dye from aqueous solution using UiO-66 metal–organic framework (MOF), activated carbon (AC), and their composite under natural solar irradiation. The composite was synthesised by simple mechanical mixing of equal (50 wt.%) proportions of MOF and AC powders in a porcelain mortar, a cost-effective and mild synthesis approach that preserves the MOF structure while enabling large-scale preparation. The adsorption/photocatalytic mechanism was evaluated through UV–Vis spectroscopy to assess dye degradation efficiency, while FTIR, Raman, and XRD analyses provided insight into the interaction mechanisms. After four hours of natural sun irradiation, the MOF/AC composite exhibited superior CR removal efficiency (95%) compared to both individual components (75%), confirming the synergistic role of MOF and AC in photocatalytic degradation, where AC acts as an electron sink. XRD, FTIR, and Raman spectroscopy revealed that CR interacts with the Zr–O nodes of MOF through its S=O groups, indicating chemisorptive bonding. Additionally, all samples achieved a removal efficiency more than 50% higher than in dark conditions. The reusability study indicated that pure MOF maintained the highest stability over multiple cycles, while composites gradually lost activity due to AC surface saturation. These findings demonstrate that combining MOF with AC provides a sustainable and energy-efficient strategy for dye removal under natural solar conditions.26th YuCorr International Conference, November 3-5, 2025, Palić, Serbia