Search Results (684)

Zinc oxide (ZnO) is a semiconductor with photocatalytic activity, although it presents limitations due to its band gap and the rapid recombination of the electron–hole pair; therefore, strategies such as doping have been explored. In this work, ZnO nanoparticles doped with 3% and 5% silver (Ag) were synthesized using a Cylindropuntia cholla root extract as a reducing and stabilizing agent. The structural, chemical, and optical properties of the synthesized nanoparticles were investigated using Fourier Transform Infrared Spectroscopy (FT-IR), X-ray Diffraction (XRD), Cathodoluminescence (CL), X-ray Photoelectron Spectroscopy (XPS), and Energy-Dispersive X-ray Spectroscopy (EDS). FT-IR shows that the nanoparticles have peaks between 400 cm⁻¹ and 406 cm⁻¹, attributed to the Zn–O bond. XRD characterization confirmed the formation of the wurtzite crystalline phase of ZnO, as well as the cubic phase of Ag. CL reveals two peaks: one attributed to the ultraviolet (UV) region and another in the visible region, which is associated with defects in the lattice. XPS and EDS confirm the presence of Zn, O, and Ag in the samples. The degradation of methylene blue was 90.9%, 96.4%, and 97.0% for ZnO, 3AgZnO, and 5AgZnO, respectively, demonstrating an improvement in dye degradation efficiency when doping ZnO nanoparticles with Ag. Full article

The development of efficient, sustainable, and low-cost catalysts for wastewater treatment remains a major environmental challenge. In this work, Zn-doped CuO nanostructures were successfully synthesized via a green route using Aloysia citrodora leaf extract as a natural reducing and stabilizing agent. The structural and morphological properties of the prepared catalysts were systematically characterized by XRD, Raman spectroscopy, FTIR, SEM, and EDX analyses. The results revealed the formation of highly crystalline monoclinic CuO nanoparticles, whose defect density and surface properties were significantly modified by Zn incorporation. The catalytic performance of the synthesized materials was evaluated through the heterogeneous Fenton-like degradation of Rhodamine B in aqueous solution under dark conditions. The Zn-doped CuO catalyst exhibited outstanding degradation efficiency (~99.97%) within only 30 min, using a low catalyst dosage of 15 mg and a minimal H₂O₂ amount of 25 μL. The enhanced catalytic activity is attributed to the synergistic interaction between Zn-induced lattice defects and the Cu²⁺/Cu⁺ redox cycle, which promotes efficient H₂O₂ activation and •OH radical generation. Radical scavenging experiments confirmed the dominant role of hydroxyl radicals in the degradation process. Compared with previously reported CuO-based catalysts, the present system demonstrates superior performance in terms of reaction rate, oxidant consumption, and energy efficiency. These findings highlight the potential of Zn-doped CuO synthesized via green chemistry as a promising and sustainable catalyst for advanced wastewater treatment applications. Full article

A one-pot green combustion route was developed for the synthesis of ashy single-crystalline NiO nanoparticles using date molasses as a biogenic fuel and complexing medium. The obtained DM–NiO showed phase-pure cubic NiO with an average crystallite size of about 18 nm, a mesoporous texture with a BET surface area of 68.9 m² g⁻¹, a pore volume of 0.59 cm³ g⁻¹, an average pore diameter of 17.6 nm, and a mean particle size of 43.6 ± 8.13 nm. Optical characterization revealed defect-mediated light absorption with an energy gap of 3.11 eV, supporting solar-light-driven activity. In the photocatalytic degradation of pyronin Y, the catalyst exhibited strong pH dependence, reaching its best H₂O₂-free performance at pH 11 with a pseudo-first-order rate constant of 0.0072 min⁻¹, nearly six times higher than that at pH 3. The introduction of H₂O₂ markedly intensified the process, and at 9 mM H₂O₂, the rate constant increased to 0.048 min⁻¹, representing more than a sixfold enhancement over photocatalysis alone, while complete disappearance of the main visible absorption band was achieved within 38 min under solar illumination. Radical trapping experiments identified photogenerated holes and hydroxyl radicals as the dominant oxidative species. The catalyst also retained high activity over four successive cycles, with degradation efficiencies decreasing only slightly from 91.8% to 85.7%. These results demonstrate that date-molasses-assisted combustion synthesis provides a sustainable route to defect-active mesoporous NiO with highly enhanced solar photo-Fenton-like performance for dye-contaminated wastewater treatment. Full article

Degradation of volatile organic compounds (VOCs) by environmentally friendly methods remains a challenging issue. Photothermal catalysis, as an emerging green catalytic technology, merges the benefits of both thermal catalysis and photocatalysis, presenting itself as a viable strategy for VOC degradation. However, achieving higher catalytic performance by reasonably designing the synthetic route of catalyst carriers remains difficult. In this study, crystalline carbon nitride material, poly(triazine imide) (PTI), was prepared using a unique molten salt synthesis method and employed as a support for Pt to construct an exceptional photothermal catalyst. In a continuous-flow system under Xe lamp irradiation with external temperature control, toluene was efficiently degraded at a high rate of nearly 100% under low Pt content (0.31 wt%) and a relatively low operational temperature condition (143 °C). As a carrier of noble metals, PTI material exhibited a larger specific surface area and fewer structural defects, resulting in more efficient toluene conversion and mineralization. The joint action of photocatalysis and thermocatalysis synergistically facilitated the efficient generation of active species and accelerated charge transfer, thereby significantly boosting toluene catalytic oxidation. These findings provide valuable guidance for designing and optimizing photothermal catalysts for the removal of VOCs. Full article

Cu₂ZnSn(S,Se)₄ (CZTSSe) is a candidate thin-film photovoltaic material; however, its performance is restricted by innate defect-induced nonradiative recombination. Low-concentration Ge doping has been identified as an efficient way to mitigate these defects, but the selenization temperature remains an important process parameter that governs the structure and optoelectronic characteristics of CZTSSe absorbers. In the present work, low-concentration Ge-doped Cu₂ZnSn_0.95Ge_0.05S₄ (CZTGS) precursor films were synthesized through a green, n-butylammonium butyrate-based solution approach. The effects of the selenization temperature (530–570 °C) on the microstructure, composition, and photovoltaic performance of Cu₂ZnSn_0.95Ge_0.05(S,Se)₄ (CZTGSSe) films and devices were comprehensively investigated. X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), energy-dispersive X-ray spectrometer (EDS), atomic force microscopy (AFM) were performed to comprehensively characterize the synthesized samples, and the results suggested that the selenization temperature dramatically altered the film grain growth, crystallinity, elemental retention and surface roughness. Specifically, the film that underwent selenization at 550 °C presented the best crystallinity, which was accompanied by large-scale even grains, efficient Ge⁴⁺ addition to the kesterite lattice and the lowest surface roughness. These better properties in terms of structure and composition resulted in the lowest carrier transport resistance (R_s = 8.6 Ω∙cm²), improved recombination resistance (R_j = 5.9 kΩ∙cm²), inhibited nonradiative recombination, and prolonged carrier lifetime (τ_EIS = 35.8 μs). Therefore, the resulting CZTGSSe thin-film solar cell had an 8.69% better power conversion efficiency (PCE), while its open-circuit voltage (V_OC) was 0.42 V, the fill factor (FF) was 55.51%, and the short-circuit current density (J_SC) was 37.71 mA·cm⁻². Our results elucidate the mechanism by which the selenization temperature regulates low-concentration Ge-doped kesterite devices and provide more insights into the optimization of processes for cost-effective, high-performance, and green thin-film solar cells. Full article

The photoelectrochemical splitting (PEC) of water provides a direct route to converting solar energy into storable chemical fuels. When illuminated, a semiconductor photoelectrode can absorb light and generate electron-hole pairs, which participate in interfacial redox reactions at the semiconductor-electrolyte junction. Therefore, to achieve high-performance PEC, photoelectrodes with optimized optical absorption and charge have been explored. This review analyzes recent fabrication strategies used to design photoelectrodes for the PEC dissociation of water. Physical fabrication techniques, including pulsed laser deposition, magnetron sputtering, and physical vapor deposition, allow for precise control of film thickness, crystallinity, and defect density, critical parameters for efficient charge transport. Typically, in physical methods, reported photocurrent densities span from ~10⁻² to 10¹ mAcm⁻², depending on the semiconductor material, nanostructure design, and interfacial engineering strategies. Chemical synthesis methods, such as hydrothermal growth, successive ion layer adsorption and reaction, and microemulsion techniques, provide greater compositional flexibility and enable controlled doping, surface functionalization, and the formation of nanostructured morphologies. Finally, hybrid fabrication strategies integrate physical and chemical processes within a single synthesis framework to combine structural precision with compositional tuning capabilities. These approaches enable the development of advanced architecture such as heterojunctions, core–shell nanostructures, and catalyst-modified interfaces, which enhance light absorption and optimize interfacial transfer. Furthermore, theoretical and computational tools are here analyzed as complementary approaches that guide the rational design and optimization of photoelectrochemical materials and devices. Full article

CsPbBr₃ perovskite quantum dots (QDs) have attracted significant attention for optoelectronic applications owing to their outstanding optical properties, yet achieving controlled synthesis with high stability under mild conditions remains a challenge. The room-temperature synthesis of CsPbBr₃ perovskite quantum dots using a coprecipitation method is systematically investigated in this work, with an emphasis on how the structural and optical properties of the QDs are influenced by the Br/Pb ratio and OA/OAm ratio. The findings show that controlling the Br/Pb and OA/OAm ratios can effectively influence the size, crystalline phase, and surface passivation properties of CsPbBr₃ quantum dots. The photoluminescence peak shifts blue and the bandgap widens when the Br/Pb ratio rises due to a decrease in quantum dot size. This is mainly explained by more effective surface covering by Br⁻ ions and increased quantum confinement effects. The resultant quantum dots demonstrate ideal optical performance at a Br/Pb ratio of 75 and an OA/OAm ratio of 1.5, with dense ligand coverage, superior defect passivation, and markedly improved stability under UV irradiation and in aqueous environments. Variations in the Br/Pb and OA/OAm ratios affect the binding configuration and coverage of ligands on the quantum dot surface, thereby influencing the relationship between non-radiative recombination and the quantum confinement effect. The LED fabricated with the as-synthesized high-performance quantum dots demonstrates a wide color gamut, covering 129.45% of the NTSC standard, indicating strong potential for display applications. Full article

This study systematically investigates the influence of temperature on the defect formation mechanisms in uranium nitride (UN) crystals using first-principles calculations. The formation energies and lattice distortion characteristics of various defects at 0 K and 1780 K were calculated by constructing models of perfect crystals as well as vacancy, interstitial, antisite, and divacancy defects. The results demonstrate that elevated temperatures significantly reduce defect formation energies, with interstitial and divacancy defects exhibiting negative formation energies at 1780 K, indicating a tendency for spontaneous formation. The U interstitial defect induces the most pronounced lattice expansion of 5.1% at 0 K. Furthermore, interstitial defects cause the most significant lattice distortions, while Schottky defects exhibit the lowest formation energy. The current study provides theoretical insights into the defect behavior of UN fuel under high-temperature service conditions and offers valuable guidance for optimizing sintering process parameters. Full article

Forward osmosis (FO) membranes face challenges in balancing high water permeability, low reverse salt flux (RSF), and mechanical durability. Although nanopores in graphene have great theoretical potential, the existing methods make it difficult to independently optimize the nanopores of the graphene layer and the microstructure of the substrate without damaging each other. Here, we propose a defect engineering strategy based on oxygen plasma etching to address this collaborative optimization challenge. Monolayer porous graphene (PG) was integrated with polysulfone (Psf) substrates, followed by oxygen plasma etching to introduce nanopores and oxygen-containing functional groups (e.g., carboxyl, hydroxyl). By controlling the etching time to 10 s, the resulting membrane (S-PG10) exhibited a water flux of 0.24 LMH in 0.5 M NaCl, representing an order-of-magnitude increase compared to the pristine graphene membrane (S-G). Remarkably, S-PG10 maintained a high salt rejection (>96%) and a low J_s/J_w (<0.35 g·L⁻¹). Substrate modification via short-term plasma etching (5 min) further doubled the water flux of S*5-PG10 (0.47 LMH in 0.5 M NaCl) by increasing porosity (81.8%→85.6%) and hydrophilicity. However, prolonged etching (>15 min) degraded mechanical strength and increased RSF due to pore structure disruption. To enhance robustness, Poly(D,L-lactic acid) (PDLLA)-doped substrates (S^#-PG) were engineered, with 0.1 wt.% PDLLA optimizing mechanical properties while maintaining low RSF and high flux. Excessive PDLLA (10 wt.%) induced hydrophobicity and crystalline structures, reducing permeability. The study demonstrates that synergistic optimization of plasma etching duration on the graphene selective layer (5~10 s) and substrates (5 min) as well as PDLLA doping (0.1 wt.%) balances pore architecture, surface chemistry, and substrate integrity, achieving FO membranes with superior water-salt selectivity and mechanical stability. These findings provide critical insights into designing high-performance graphene-based membranes for sustainable desalination and water purification. Full article

Metal–organic frameworks (MOFs), a class of porous crystalline materials, consists of metal ions or clusters coordinated to organic linkers. The unique features of MOFs such as exceptionally high surface area, chemical versatility, and tunable porosity make them highly suitable for several applications, including gas storage, drug delivery, catalysis, and sensing. Various synthesis techniques, including solvothermal, hydrothermal, microwave-assisted, mechanochemical, electrochemical, and sonochemical methods, have been used for the fabrication of MOFs. The selection and optimization of synthesis technique significantly influence the fundamental framework structure, the existence of defects, the available active sites, and the effectiveness of MOFs in special applications. This study focuses on advances in MOF fabrication techniques and examines their role in tuning the key properties of MOFs for targeted applications. The insights of this work may guide researchers in selecting or designing appropriate fabrication strategies for application-specific development of MOFs. Full article

The paper presents the evaluation and research undertaken to propose an optimal solution for the Capra–Bâlea road tunnel, within the framework of rehabilitating and modernizing the entire road section, with the objective of ensuring uninterrupted vehicular traffic during the winter season. The Capra–Bâlea road tunnel is the longest operational and under exploitation tunnel in Romania, measuring 887 m, and the highest-altitude road tunnel structure in the country, at 2042 m above sea level. It serves as a connection between the historic regions of Tara Romaneasca and Transylvania via the DN7C national road, commonly referred to as the Transfagarasan, which is among Romania’s most significant tourist routes, and contains five of the ten existing road tunnels in the country. The tunnel passes through crystalline metamorphic rocks typical of the Fagaras mountains. The construction method was typical of the 1970s, combining drill-and-blast in the central section with cut-and-cover execution at the two ends. The technical condition of the tunnel, evaluated through a detailed technical inspection, is presented, highlighting defects and proposing rehabilitation or restoration solutions. The existing cross sections are described and comparatively analyzed against the currently recommended cross-sections in accordance with present standards and gauge requirements. A three-dimensional simulation of both the current and original cross-sections was performed to investigate the behavior of this type of structure, and solutions for tunnel rehabilitation and modernization are recommended. Finally, the advantages of the proposed solution are discussed. Full article

In this study, a highly crystalline 2H (hexagonal)-phase MoS₂ sensing layer with a precisely controlled crystal structure was realized through a combination of DC sputtering and sulfurization annealing processes, and subsequently integrated with a D-shaped optical fiber to develop a highly sensitive carbon dioxide (CO₂) sensor. Conventionally sputtered MoS₂ thin films often suffer from the presence of unstable metallic 1T (tetragonal) phases and a high density of sulfur vacancies, which significantly degrade sensor reversibility and long-term stability. Here, high-temperature annealing under a sulfur-rich atmosphere was employed to induce a complete phase transition from the metastable 1T phase to the stable semiconducting 2H phase, while simultaneously healing sulfur vacancies. Enhanced crystallinity was confirmed by Raman spectroscopy. The fabricated sensor exhibited excellent linearity (R² > 0.99) and markedly improved repeatability over a CO₂ concentration range of 1000–10,000 ppm. This significant performance enhancement is attributed to reversible charge transfer induced by sulfur vacancy passivation, which modulates the complex refractive index of the MoS₂ layer and optimizes optical interaction with the evanescent field of the D-shaped fiber. The phase engineering and defect-healing strategy presented in this work effectively addresses the drift issues commonly observed in conventional electrical gas sensors and provides a crucial pathway toward the realization of high-performance optical gas sensors. Full article

Background: Myricetin (MYR) is a natural flavonol with antioxidant, neuroprotective, anti-inflammatory, antidiabetic, and cardioprotective activities. Still, its pharmaceutical use is limited by very low aqueous solubility (~16.6 µg/mL) and poor oral bioavailability (<10%). This study aimed to enhance the solubility and potentially improve the bioavailability of MYR by developing an amorphous nanofibrous delivery system. Methods: Electrospinning was applied to fabricate MYR-loaded nanofibers using polyvinylpyrrolidone K30 (PVP30), and the influence of key processing parameters on MYR solubility was evaluated. Nanofibers produced under selected electrospinning conditions were characterized in terms of morphology, encapsulation efficiency, and physicochemical properties. Results: X-ray powder diffraction confirmed complete amorphization of MYR within the BB5 fiber structure (distance: 12 cm, voltage: 25 kV, flow rate: 1.5 mL/h). FTIR analysis indicated hydrogen-bonding interactions between MYR hydroxyl groups and PVP30 carbonyl groups, contributing to stabilization of the amorphous form. SEM images revealed homogeneous, defect-free fibers with diameters below 400 nm, although localized MYR agglomerates were observed. Solubility and release studies demonstrated a characteristic spring-and-parachute effect, enabling rapid MYR release and maintenance of a supersaturated state. Enhanced solubility resulted in significantly improved antioxidant activity in DPPH and CUPRAC assays compared with crystalline MYR. Conclusions: Electrospun PVP30 nanofibers represent a promising platform for improving the solubility, dissolution behavior, and functional activity of poorly soluble bioactive compounds such as myricetin, supporting their potential application in pharmaceutical formulations. Full article

Nanocrystalline CeO₂ exhibits size-dependent lattice distortions linked to defect chemistry and surface effects. However, the relationships between the oxidation state, surface interactions, and nanoparticle structure remain unclear in the existing literature, particularly when inferred from conventional nanoparticle diffraction techniques, including powder X-ray diffraction. As a result, the atomistic origin of lattice expansion or contraction with the crystallite size of ceria nanoparticles is still debated. Here, synchrotron X-ray powder diffraction data are analyzed using Rietveld refinement supported by advanced peak profile modeling based on whole powder pattern modeling (WPPM), including thermal diffuse scattering (TDS). The latter provides direct access to information on lattice dynamics. Indeed, we simultaneously determine the size distributions of crystalline domains and their atomic displacements, which are then compared and quantitatively validated with molecular dynamics (MD) simulations. Reactive MD simulations further reveal that vacancy-rich surfaces induce lattice contraction at small particle sizes under vacuum, whereas water adsorption causes surface hydroxylation and lattice expansion. These results explain lattice parameter variations in nanocrystalline ceria through the interplay of surface chemistry and environment. This insight is critical for the correct interpretation of diffraction-derived structural parameters in oxide nanocatalysts used in redox and oxygen storage applications. Full article

Polymer powder bed fusion (PBF) is strongly influenced by powder chemistry and powder state, yet many studies discuss the materials and processing conditions in isolation. This review synthesises the literature using a powder-centred framework that connects polymer chemistry and powder production history to measurable powder descriptors, and then links these descriptors to processing windows, defect mechanisms, and application outcomes. Key descriptors include crystallinity and thermal transitions, additive packages, particle size distribution, morphology, and surface texture. Environmental sensitivities are also considered, including moisture uptake, temperature effects, and optical response. These factors are related to powder spreading, energy absorption, and melt solidification or sintering to explain how flowability, packing density, and melt dynamics govern porosity, lack of fusion, distortion, and degradation. Powder qualification is discussed together with lot-to-lot variability and lifecycle effects, including ageing, reuse, and refresh, using the indicators commonly reported in laboratory and production settings and supported by emerging in situ monitoring. Application case studies are consolidated to illustrate how powder state and process control translate into repeatable qualification targets as polymer PBF moves toward a predictable and transferable manufacturing practice. Full article