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New hybrid organic-inorganic perovskites: Substitutional effects on the energy landscape of guanidinium-BX3 B = (Be2+, Ba2+, Zn2+, Ge2+, Sn2+) and X = (I−, F−)
No full textThe development of perovskite solar cells (PSC) has attracted great attention as a “green” energy source that might even replace fossil fuels soon [1], while hybrid organic-inorganic perovskites have emerged as promising materials for next-generation photovoltaic applications due to their tunable properties and high-power conversion efficiencies. However, conventional lead-based perovskites pose significant environmental and health concerns due to toxicity [2]. In this study, we investigate a series of lead-free hybrid guanidinium-based perovskites of the form GA-BX₃ (GA = C(NH₂)₃⁺), where B = Be²⁺, Ba²⁺, Zn²⁺, Ge²⁺, or Sn²⁺, and X = I⁻ or F⁻ (Figure 1). We performed ab initio calculations using Density Functional Theory (DFT), with several functionals – Local Density Approximation (LDA) and Perdew-Burke-Ernzerhof (PBE), as well as HSE06 (Heyd–Scuseria–Ernzerhof) hybrid functional, implemented in the Crystal 17 code, and analyzed the structural stability and electronic band structures of these compounds. Our goal is to identify compositions with enhanced chemical stability, reduced band gaps, and improved optoelectronic properties. These findings offer valuable insights into the design of environmentally safe, high-performance materials for perovskite solar cells.5th International Meeting on Materials Science for Energy Related Applications, September 25-26, 2025, Belgrade
Catalytic effects of Ni and Co additives on hydrogen desorption properties of MgH2 under short milling times
No full textThe effects of nickel (Ni) and cobalt (Co) additives on the hydrogen desorption properties of magnesium hydride (MgH2) were investigated with short milling times (15, 30, and 45 minutes). Composite powders were produced through high-energy ball milling and analyzed using XRD, SEM-EDS, PSD, DSC, and TPD techniques. The addition of Ni significantly lowered the hydrogen desorption temperature by more than 100 °C compared to pure MgH2 [1]. Kinetic analysis showed that hydrogen desorption in Co-doped samples follows the Avrami–Erofeev model (n = 4), with the apparent activation energy (Ea) decreasing as milling time and additive concentration increase. The MgH2–Co composite containing 20 wt%, milled for 45 minutes, showed the best desorption performance, with a low-temperature (LT) maximum at 310 °C and an LT/HT ratio of 3.38. In systems with Ni and Co, the catalytic effect of transition metals was identified as the primary factor enhancing hydrogen release, while the effect of grinding was secondary. These results show that mechanochemical processing involves two separate effects—mechanical grinding and catalytic action, with the catalytic effect being more significant at shorter milling durations.5th International Meeting on Materials Science for Energy Related Applications, September 25-26, 2025, Belgrade
Irradiated Multi-Walled Carbon Nanotubes Loaded with Doxorubicin Mitigate Doxorubicin-Related Cytoxicity in Vitro
No full textDoxorubicin (DOX) is a widely used chemotherapeutic whose clinical use is often limited by severe systemic toxicity [1]. In recent years, different carriers with various levels of biodegradability were developed to decrease systemic toxicity and enable targeted drug delivery [2]. Multi-walled carbon nanotubes (MWCNTs) have gained significant attention as nanocarriers for targeted drug delivery due to their unique physicochemical properties, such as high surface area, excellent stability, and biodegradability [3]. We investigated the cytotoxicity of DOX-loaded MWCNTs, before and upon proton irradiation (0.25, 1, and 3 Gy) toward the human fibroblast cell line, MRC-5, to evaluate their potential application in a clinical setting. The functionalization of MWCNTs was achieved through acid oxidation using concentrated nitric acid, which introduced carboxyl (-COOH) and hydroxyl (-OH) functional groups onto the nanotube surface. Characterization of the MWCNTs-DOX composites was performed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and field-emission scanning electron microscopy (FESEM). XTT assay was employed to assess the impact of non-irradiated and irradiated MWCNTs-DOX composites on MRC-5 cell viability following 24-hour treatments in vitro. MWCNTs-DOX composite and irradiated composite significantly reduced DOX-induced cytotoxicity at the same applied concentrations, while irradiation induced dose-dependent structural modifications of MWCNTs-DOX composite. These changes likely result from bond cleavage and alterations in functional groups, potentially affecting the stability and interaction of the components. These results strongly suggest that MWCNTs loading alleviates DOX-induced toxicity against normal cells, even upon irradiation, ultimately minimizing adverse effects and systemic toxicity.2025 IEEE 15th International Conference “Nanomaterials: Applications & Properties” (IEEE NAP-2025) : September 7–12, 2025, Bratislava, Slovakia.Conference Track: “Nanobiomedical Research & Applications”Abstract ID #NRA-173
Optimization of the process of obtaining highly porous carbon materials by thermochemical conversion of biomass for application in green technologies
No full textФокус ове докторске дисертације је на припреми и карактеризацији угљеничних материјала добијених из отпадне биомасе у функцији адсорбената за уклањање загађивача из водених раствора. Као сировине за синтезу коришћени су отпадне аутомобилске гуме на бази природног каучука, медвеђе грожђе као природни биљни материјал и кајсија као пољопривредни отпад. Угљенични материјали добијени су процесом пиролизе на температури од око 800 °C, а затим активирани употребом CO2 и H3PO4 у циљу побољшања порозне структуре и адсорпционих својстава. Испитиван је утицај параметара синтезе, на морфологију, специфичну површину и функционалне групе добијених материјала. Процеси адсорпције метала и органских боја из воде праћени су применом различитих аналитичких техника: инфрацрвена спектроскопија (FTIR) за идентификацију функционалних група, рендгенска дифракција (XRD) за одређивање кристалне структуре, Brunauer–Emmett–Teller анализа (BET) за мерење специфичне површине и порозности, и гасна хроматографија са масеном спектрометријом (GC-MS) за идентификацију и квантификацију органских загађивача. Резултати су показали да структура и хемијски састав угљеничних адсорбената значајно утичу на ефикасност уклањања различитих врста загађивача. Материјали добијени из природног и индустријског отпада показали су високу адсорпциону способност и потенцијал за примену у третману отпадних вода. Додатно, анализа економске и еколошке исплативости производње указује на могућност комерцијалне примене ових материјала у систему циркуларне економије. Према доступној литератури, синтеза и примена оваквих материјала из наведених извора до сада нису биле предмет обимнијег истраживања.The focus of this doctoral dissertation is the preparation and characterization of carbon-based materials derived from waste biomass, intended for use as adsorbents for the removal of pollutants from aqueous solutions. The raw materials used for synthesis included waste automotive tires based on natural rubber, bearberry as a natural plant material, and apricot as agricultural waste. The carbon materials were obtained through pyrolysis at a temperature of approximately 800 °C, followed by activation using CO2 and H3PO4 to enhance their porous structure and adsorption properties. The influence of synthesis parameters on the morphology, specific surface area, and functional groups of the obtained materials was investigated. The adsorption processes of metals and organic dyes from water were monitored using various analytical techniques: Fourier-transform infrared spectroscopy (FTIR) for the identification of functional groups, X-ray diffraction (XRD) for determining crystalline structure, Brunauer–Emmett–Teller (BET) analysis for measuring specific surface area and porosity, and gas chromatography-mass spectrometry (GC-MS) for the identification and quantification of organic pollutants. The results showed that the structure and chemical composition of the carbon adsorbents significantly influence the efficiency of removing various types of pollutants. Materials obtained from both natural and industrial waste exhibited high adsorption capacity and potential for application in wastewater treatment. Additionally, an analysis of the economic and environmental feasibility of production indicates the possibility of commercial application of these materials within a circular economy system. According to the available literature, the synthesis and application of such materials from the mentioned sources have not previously been the subject of extensive research
Natural Sunlight Driven Photocatalytic Degradation of Methylene Blue and Rhodamine B over Nanocrystalline Zn2SnO4/SnO2
No full textThe natural sunlight driven photocatalytic degradation of organic pollutants is a sustainable solution for water purification. The use of heterojunction nanocomposites in this process shows promise for improved photodegradation efficiency. In this work, nanocrystalline Zn2SnO4/SnO2 obtained by the solid-state synthesis method was tested as a heterojunction photocatalyst material for the degradation of methylene blue (MB) and Rhodamine B (RhB) dyes as single and multicomponent systems in natural sunlight. Characterization of the structure and morphology of the synthesized nanocomposite using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) combined with energy dispersive X-ray spectroscopy (EDS), and photoluminescence (PL) spectroscopy confirmed the formation of Zn2SnO4/SnO2 and heterojunctions between Zn2SnO4 and the SnO2 nanoparticles. A photodegradation efficiency of 99.1% was achieved in 120 min with 50 mg of the photocatalyst for the degradation of MB and 70.6% for the degradation of RhB under the same conditions. In the multicomponent system, the degradation efficiency of 97.9% for MB and 53.2% for RhB was obtained with only 15 mg of the photocatalyst. The degradation of MB occurred through N-demethylation and the formation of azure intermediates and degradation of RhB occurred through sequential deethylation and fragmentation of the xanthene ring, both in single and multicomponent systems
Thermally Induced Phase Transformation of Ni-Exchanged LTA Zeolite as an Alternative Route of Obtaining Stable Ni-Spinel Pigment
No full textThis study investigates the thermally induced phase transformation of Ni-exchanged
LTA zeolite as a dual-purpose method for nickel immobilization and the synthesis of
stable ceramic pigments. The process describes a cost-effective and sustainable alternative
to conventional pigment production, aligning with circular economy principles. Upon
thermal treatment at temperatures ranging between 900 ◦C and 1300 ◦C, Ni-exchanged
LTA zeolite undergoes a transformation to NiAl2O4 spinel, confirmed by XRPD, FTIR, and
thermal analysis. Initially, NiO is formed, but as the temperature increases, it dissolves
and transforms into NiAl2O4. Colorimetric studies revealed intensified blue pigmentation
with increasing temperature, correlating with crystallite growth and structural evolution.
SEM analysis showed morphological changes from cubic particles to sintered agglomerates,
enhancing pigment stability and hardness. The Ni-LTA sample calcined at 1300 ◦C showed
the highest hue angle, which was consistent with the formation of over 99 wt.% of the
nickel aluminate crystalline phase at this temperature. The results demonstrate that Ni-LTA
zeolite can be effectively transformed into durable greenish-blue pigments suitable for
application in porcelain. This transformation is especially evident at 1300 ◦C, where a spinel
phase (NiAlSi2O4) forms, with colorimetric values: L = 58.94, a* = –16.08, and b* = –15.90
Recent advances and perspectives in nanocomposites applications for wastewater treatment
No full textWater pollution has become a great burden of our present, carrying pesticides and fertilizers, animals waste and microbes, hazardous chemicals and residues into nearby streams and rivers, and further, by watercourses to seas and oceans, affecting and threatening living organisms. Currently faced with a shortage of clean water, its preservation must be the main task of pollution control. With the accelerated development of nanotechnology, thanking their characteristics, nanocomposites (NCs) are taking precedence in pollutants’ decomposition and removal from wastewater. Various studies show that they are an acceptable option for wastewater treatment due to their multiple desirable properties. This chapter establishes an overview of NCs based on metal nanoparticles and polymers, which provide high surface area, sorption capacity, and selectivity to target wastewater pollutants, covering a background of the recent literature. In addition, their features of adsorption are highlighted to assess the performance, as well as their challenges and future aspects in wastewater treatment
Designing innovative ZnPc/N-CQDs hybrid material as efficient photocatalyst for environmental remediation
No full textWater contamination with biological and chemical pollutants presents a significant environmental challenge, therefore it is necessary to develop efficient photocatalysts for green remediation. Here, we introduce an innovative ZnPc/N-CQDs hybrid material designed by self-assembling of lipophilic dye, zinc (II)-phthalocyanine (ZnPc), with N-doped carbon quantum dots (N-CQDs) using microwave irradiation. The as-prepared ZnPc/N-CQDs hybrid material exhibits excellent solubility and optical properties of N-CQDs, along with NIR absorption properties of ZnPc. Evidence from high-resolution transmission electron microscope (TEM) and atomic force microscope (AFM) measurements supports that the ZnPc crystals with a rectangular shape are uniformly covered with carbon quantum dots. The photocatalytic activity of the studied hybrid material and starting dye is compared based on efficiencies in the degradation of Rose Bengal (RB). The synthesized hybrid material showed high removal efficiency towards RB, and a great capacity to adsorb organic dye pollutants in the absence of light. This study introduces a new perspective on the advanced synergistic effect of ZnPc and N-CQDs and its potential to remove reactive residues of RB remediation. Due to the environmental friendliness, hydrophilicity, and clean production, designed hybrid can find application as promising photocatalyst for wastewater treatment and environmental remediation
Salicylic Acid Surface Modification Reduces TiO₂ Nanoparticle-Induced Lipid Peroxidation in Rat Brain Tissue
No full textTitanium dioxide nanoparticles (TiO2 NPs) are widely used in food, pharmaceuticals, cosmetics, paints, and other industries. However, growing evidence has raised concerns about their potential neurotoxic effects, which may depend on particle size, shape, dose, and route of exposure. As surface modification emerges as a promising strategy to reduce TiO2 toxicity, the aim of our research was to compare the effects of bare, commercially available TiO2 NPs and TiO2 NPs surface-modif ied with salicylic acid (SA/TiO2 NPs) in adult female Wistar rats. Rats (n=12) received single oral treatment of either vehicle (2.5 mL 0.01 M HCl), TiO2 NPs or SA/TiO2 NPs (1000 mg/kg suspended in vehicle). Two weeks post-treatment, the animals were sacrificed, brain tissue was collected, and oxidative stress parameters were analyzed in the crude synaptosomal (P2) fraction. The prooxidant–antioxidant balance (PAB) level was significantly increased in TiO2 NPs-treated group compared to vehicle, indicating oxidative stress induction. Levels of advanced oxidation protein products (AOPP) did not differ significantly between groups. However, lipid peroxidation (LPO) was markedly elevated in TiO2 NPs group, while SA modification effectively restored LPO to levels observed in vehicle. Our findings suggest that surface modification of TiO2 NPs with SA reduces toxic prooxidative effect manifested via attenuation of LPO levels in brain tissue. This approach offers a promising direction for enhancing nanoparticle biocompatibility, however, further studies are needed to clarify underlying mechanisms and explore alternative modifications with improved protective potentialSNC'25 : Sinapsa Neuroscience Conference '25 : book of abstracts : September 17-19, 2025, Ljubljana, Slovenia
A new class of high-entropy pyrochlore oxides: comparative insight into structural response with and without pressure
No full textHigh-entropy oxides (HEOs) present a promising platform for engineering novel functionalities through configurational complexity. This study investigates the structural behavior of a new class of high-entropy pyrochlore oxides with the nominal composition (La1/7Sm1/7Nd1/7Pr1/7Y1/7Gd1/7Yb1/7)2(Sn1/3Hf1/3Zr1/3)2O7, synthesized using three different methods: solid-state displacement reaction (SSDR), glycine-nitrate combustion (GNP), and conventional oxide mixing. Initial X-ray diffraction (XRD) results showed amorphous or poorly crystalline phases, which evolved into crystalline pyrochlore upon calcination at 750–900 °C. A mixture of defective fluorite and pyrochlore phases was observed during heating, with phase-pure pyrochlore obtained after pressureless sintering at 1650 °C without additives. To probe the mechanical resilience of the structure, in situ high-pressure synchrotron XRD was performed up to 25.8 GPa. The results demonstrated excellent structural stability under compression, with no phase transformation. These experimental observations were further validated by theoretical modeling. Rietveld refinement, Raman spectroscopy, and computational analysis confirmed the homogeneity and stability of the final product. This work demonstrates that both the synthesis route and external pressure significantly influence phase formation and crystallization in high-entropy pyrochlore oxides. The findings underline the structural robustness and compositional flexibility of these materials, offering new possibilities for their application in extreme environments and functional devices.16th International Symposium „Novel Technologies and Sustainable Development“ Leskovac, October, 17-18, 2025. [https://doi.org/10.46793/89429-60.boa