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Search Results (864)

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Keywords = Cu/TiO2

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31 pages, 10779 KB  
Review
MXene-Polymer Nanocomposites for High-Efficiency Photocatalytic Antibiotic Degradation Review: Microstructure Control, Environmental Adaptability and Future Prospects
by Zhenfei Chen, Zhifei Meng, Zhongguo Zhang and Weifang Ma
Polymers 2025, 17(19), 2630; https://doi.org/10.3390/polym17192630 - 28 Sep 2025
Abstract
The efficient degradation of antibiotics in pharmaceutical wastewater remains a critical challenge against environmental contaminants. Conventional photocatalysts face potential limitations such as narrow visible-light absorption, rapid carrier recombination, and reliance on precious metal cocatalysts. This review investigates the coordination structure of MXene as [...] Read more.
The efficient degradation of antibiotics in pharmaceutical wastewater remains a critical challenge against environmental contaminants. Conventional photocatalysts face potential limitations such as narrow visible-light absorption, rapid carrier recombination, and reliance on precious metal cocatalysts. This review investigates the coordination structure of MXene as a cocatalyst to synergistically enhance photocatalytic antibiotic degradation efficiency and the coordination structure modification mechanisms. MXene’s tunable bandgap (0.92–1.75 eV), exceptional conductivity (100–20,000 S/cm), and abundant surface terminations (-O, -OH, -F) enable the construction of Schottky or Z-scheme heterojunctions with semiconductors (Cu2O, TiO2, g-C3N4), achieving 50–70% efficiency improvement compared to pristine semiconductors. The “electron sponge” effect of MXene suppresses electron-hole recombination by 3–5 times, while its surface functional groups dynamically optimize pollutant adsorption. Notably, MXene’s localized surface plasmon resonance extends light harvesting from visible (400–800 nm) to near-infrared regions (800–2000 nm), tripling photon utilization efficiency. Theoretical simulations demonstrate that d-orbital electronic configurations and terminal groups cooperatively regulate catalytic active sites at atomic scales. The MXene composites demonstrate remarkable environmental stability, maintaining over 90% degradation efficiency of antibiotic under high salinity (2 M NaCl) and broad pH range (4–10). Future research should prioritize green synthesis protocols and mechanistic investigations of interfacial dynamics in multicomponent wastewater systems to facilitate engineering applications. This work provides fundamental insights into designing MXene-based photocatalysts for sustainable water purification. Full article
(This article belongs to the Special Issue Photoelectrocatalytic Polymer Materials)
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16 pages, 3143 KB  
Article
EMHD Flow and Heat Transfer of a Nanofluid Layer and a Hybrid Nanofluid Layer in a Horizontal Channel with Porous Medium
by Milica D. Nikodijević Đorđević, Jelena D. Petrović, Miloš M. Kocić, Živojin M. Stamenković and Dragiša D. Nikodijević
Appl. Sci. 2025, 15(18), 10183; https://doi.org/10.3390/app151810183 - 18 Sep 2025
Viewed by 173
Abstract
In this paper, the electromagnetohydrodynamic (EMHD) flow and heat transfer of a fluid are analytically investigated. The flow and heat transfer occur in a horizontal channel filled with a porous medium, where the permeabilities of the upper and lower halves of the channel [...] Read more.
In this paper, the electromagnetohydrodynamic (EMHD) flow and heat transfer of a fluid are analytically investigated. The flow and heat transfer occur in a horizontal channel filled with a porous medium, where the permeabilities of the upper and lower halves of the channel are different. The lower half of the channel is saturated with a hybrid nanofluid, while the upper half is saturated with a nanofluid. The base fluids of the nanofluid and the hybrid nanofluid are different. The channel walls are impermeable. The channel is subjected to external magnetic and electric fields. The problem is analyzed under the inductionless approximation. By introducing dimensionless variables and physical parameters that characterize the flow and heat transfer, the governing equations are transformed into their dimensionless forms. These equations are solved analytically, and the velocity and temperature distributions of the fluid in the channel are obtained. The distributions are graphically illustrated for the case in which the upper half of the channel contains the Al2O3/oil nanofluid and the lower half contains the Cu–TiO2/water hybrid nanofluid, considering various values of the Hartmann number, the external electric load factor, the porosity factor, and the nanoparticle volume fractions. The numerical values of the dimensionless shear stresses and Nusselt numbers at the channel walls are presented in a table. The analysis of the results indicates that an increase in the Hartmann number leads to higher temperatures within the channel. The findings also demonstrate that, in this case, the flow velocities are lower and the temperatures decrease, while the shear stresses and Nusselt numbers at the channel walls are higher compared to those observed for pure fluid (oil and water) flow through the channel. This indicates the advantage of employing the model investigated here over the classical model (water and oil) in engineering practice. Full article
(This article belongs to the Section Mechanical Engineering)
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17 pages, 3454 KB  
Article
Mitigating Salinity Stress in Solanaceae: The Role of Nanoparticles in Seed Germination and Growth Development
by Chinur Hadi Mahmood, Kamaran Salh Rasul and Hawar Sleman Halshoy
Crops 2025, 5(5), 62; https://doi.org/10.3390/crops5050062 - 12 Sep 2025
Viewed by 367
Abstract
Salinity is a significant challenge that limits agricultural productivity worldwide. This study examined the use of nanoparticles to improve the growth and development of Solanaceae crops under salinity stress. Specifically, titanium dioxide (TiO2NPs), copper oxide (CuONPs), and zinc oxide (ZnONPs) were [...] Read more.
Salinity is a significant challenge that limits agricultural productivity worldwide. This study examined the use of nanoparticles to improve the growth and development of Solanaceae crops under salinity stress. Specifically, titanium dioxide (TiO2NPs), copper oxide (CuONPs), and zinc oxide (ZnONPs) were applied at 750, 1250, and 1500 mg/kg per seed, respectively, to assess their effects on seed germination and growth of tomato, eggplant, and pepper plants. Results showed that tomato plants under salinity stress performed best with CuONPs, which improved key traits. The combination of salinity and TiO2NPs reduced flower abortion and increased seed yield and 1000-Seed weight. In eggplants, CuONPs and ZnONPs, both individually and in combination with salinity, enhanced plant characteristics, with CuONPs showing particularly strong effects. Control plants consistently recorded the lowest values across traits. For peppers, ZnONPs applied individually most effectively improved growth traits, while CuONPs reduced flower abortion and enhanced seed and germination rates. However, salinity stress itself severely reduced pepper growth parameters. The findings highlight the potential of nanoparticle applications to mitigate salinity stress, enhance growth performance, and support sustainable crop production in tomatoes, eggplants, and peppers, offering practical solutions for salinity-affected agriculture. Full article
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24 pages, 4376 KB  
Article
Experimental and ANN-Based Evaluation of Water-Based Al2O3, TiO2, and CuO Nanofluids for Enhanced Engine Cooling Performance
by Gadisa Sufe, Zbigniew J. Sroka and Monika Magdziak-Tokłowicz
Energies 2025, 18(18), 4828; https://doi.org/10.3390/en18184828 - 11 Sep 2025
Viewed by 325
Abstract
This study presents an integrated experimental and computational investigation into the thermal and hydraulic performance of three oxide-based nanofluids: aluminum oxide (Al2O3), titanium dioxide (TiO2), and copper oxide (CuO) for advanced engine cooling applications. A custom-built test [...] Read more.
This study presents an integrated experimental and computational investigation into the thermal and hydraulic performance of three oxide-based nanofluids: aluminum oxide (Al2O3), titanium dioxide (TiO2), and copper oxide (CuO) for advanced engine cooling applications. A custom-built test rig was used to assess nanofluid behavior under varying flow rates, nanoparticle volume fractions, and temperature gradients, replicating realistic engine conditions. According to the results, at ideal concentrations, CuO nanofluids continuously demonstrate better heat transfer properties, outperforming TiO2 by up to 15% and AlO3 by 7%. However, performance plateaus beyond 1.5% volume fraction due to increased viscosity and pressure drop. A multilayer feedforward artificial neural network (ANN) model was developed to predict convective heat transfer coefficients and friction factors based on experimental inputs, achieving a mean absolute percentage error below 5% and a coefficient of determination (R2) exceeding 0.98. The ANN demonstrated robust generalization across varying operating conditions and nanoparticle types, confirming its utility for surrogate modeling and optimization. This work is distinguished by its dual focus on thermal efficiency and hydraulic stability, as well as its use of data-driven modeling validated by empirical results. The findings provide actionable insights for thermal management system design in internal combustion, hybrid, and electric vehicles, where efficient, compact, and reliable cooling solutions are increasingly vital. The study advances the practical application of nanofluids by offering a comparative, ANN-validated framework that bridges the gap between lab-scale performance and real-world automotive cooling demands. Full article
(This article belongs to the Section I2: Energy and Combustion Science)
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12 pages, 2429 KB  
Article
Amphoteric Doping Effect of Ho3+ on the Performance of Medium-Temperature-Sintered PLZT Energy Storage Ceramics
by Yue Xu, Qingwei Liao, Shuhan Zhang, Xinyu Liu, Haoran Zhang and Lei Qin
Coatings 2025, 15(9), 1067; https://doi.org/10.3390/coatings15091067 - 11 Sep 2025
Viewed by 231
Abstract
The development of dielectric capacitors with high energy-storage density and ultrafast discharge capability is essential for next-generation pulsed power systems. In this work, (Pb, La, Ho, Zr, Ti)O3 (PLZTH) ceramics were fabricated via medium-temperature sintering (950–1100 °C) combined with Ho3+ doping [...] Read more.
The development of dielectric capacitors with high energy-storage density and ultrafast discharge capability is essential for next-generation pulsed power systems. In this work, (Pb, La, Ho, Zr, Ti)O3 (PLZTH) ceramics were fabricated via medium-temperature sintering (950–1100 °C) combined with Ho3+ doping to systematically tailor their energy-storage properties. This processing strategy not only mitigates Pb volatilization but also enhances compatibility with base-metal electrodes such as Ni and Cu. In addition, Ho3+ ions exhibit amphoteric doping behavior, which contributes to the enhancement of relaxor characteristics and grain refinement. H4 ceramic delivers an outstanding recoverable energy-storage density (Wrec) of 0.91 J/cm3 and a high energy efficiency (η) of 87% under 216 kV/cm, along with a power density (PD) of 28.8 MW/cm3 and an ultrafast discharge time (t0.9) of only 4.97 ns at 180 kV/cm. This study not only proposes a viable route toward high-performance medium-temperature-sintered PLZT ceramics but also elucidates the effective mechanism of Ho3+ amphoteric doping in modulating the relaxor state and properties of perovskite-based ceramics. Full article
(This article belongs to the Special Issue Advances in Nanostructured Thin Films and Coatings, 3rd Edition)
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12 pages, 2802 KB  
Article
Photocatalytic Degradation of Rhodamine B Using 1D CuO/TiO2 Nanofibers Synthesized via the Electrospinning Method
by Shouzhen Duan, Wanjun Zhang, Xiaoyan Wang, Youqing Zhao, Hui Nan and Guijun Yang
Materials 2025, 18(18), 4252; https://doi.org/10.3390/ma18184252 - 11 Sep 2025
Viewed by 332
Abstract
This research was designed to improve the separation efficiency of photogenerated carriers in TiO2 through the construction of a PN heterojunction. The motivation behind this was to tackle the problems of the narrow light response range and the high electron-hole recombination rate [...] Read more.
This research was designed to improve the separation efficiency of photogenerated carriers in TiO2 through the construction of a PN heterojunction. The motivation behind this was to tackle the problems of the narrow light response range and the high electron-hole recombination rate of TiO2. By simple one-step implementing electrospinning and calcination procedures, CuO/TiO2 PN heterojunction nanofibers were successfully synthesized. XRD and SEM analyses confirm that the heterojunction is a nanofiber structure composed of TiO2 and CuO, with the TiO2 containing anatase and rutile phases. The PL reveals that the fluorescence intensity of the heterojunction is lower compared to that of pure TiO2, and this implies a remarkable enhancement in the carrier separation efficiency. Under xenon light irradiation, for the optimized sample, the degradation rate of RhB exceeds 80%. This degradation rate is 68% higher than that of pure TiO2. The improvement in photocatalytic performance can be ascribed to the efficient charge separation driven by the built-in electric field within the PN junction and the extended light absorption range. The photoelectrochemical test further verified that the photocurrent density of the heterojunction system was 52.42% higher than that of the single TiO2, providing a new strategy for designing efficient photocatalytic systems. Full article
(This article belongs to the Section Advanced Nanomaterials and Nanotechnology)
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16 pages, 10602 KB  
Article
Effect of Ultra-Small Platinum Single-Atom Additives on Photocatalytic Activity of the CuOx-Dark TiO2 System in HER
by Elena D. Fakhrutdinova, Olesia A. Gorbina, Olga V. Vodyankina, Sergei A. Kulinich and Valery A. Svetlichnyi
Nanomaterials 2025, 15(17), 1378; https://doi.org/10.3390/nano15171378 - 6 Sep 2025
Viewed by 616
Abstract
Improving the efficiency of photocatalysts for hydrogen production while minimizing the amount of noble metals used is a pressing issue in modern green energy. This study examines the effect of ultra-small Pt additives on increasing the efficiency of the CuOx-dark TiO [...] Read more.
Improving the efficiency of photocatalysts for hydrogen production while minimizing the amount of noble metals used is a pressing issue in modern green energy. This study examines the effect of ultra-small Pt additives on increasing the efficiency of the CuOx-dark TiO2 photocatalyst used in the hydrogen evolution reaction (HER). Initially, Pt was photoreduced from the hydroxonitrate complex (Me4N)2[Pt2(OH)2(NO3)8] onto the surface of nanodispersed CuOx powder obtained by pulsed laser ablation. Then, the obtained Pt-CuOx particles were dispersed on the surface of highly defective dark TiO2, so that the mass content of Pt in the samples varied in the range from 1.25 × 10−5 to 10−4. The prepared samples were examined using HRTEM, XRD, XPS, and UV-Vis DRS methods. It has been established that in the Pt-CuOx particles, platinum is mainly present in the form of single atoms (SAs), both as Pt2+ (predominantly) and Pt4+ species, which should facilitate electron transfer and contribute to the manifestation of the strong metal–support interaction (SMSI) effect between SA Ptn+ and CuOx. In turn, in the Pt-CuOx-dark TiO2 samples, surface defects (Ov) and surface OH groups on dark TiO2 particles act as “anchors”, promoting the spontaneous dispersion of CuOx in the form of sub-nanometer clusters with the reduction of Cu2+ to Cu1+ when localized near such Ov defects. During photocatalytic HER in aqueous glycerol solutions, irradiation was found to initiate a large number of catalytically active Pt0-CuOx-Ov-dark TiO2 centers, where the SMSI effect causes electron transfer from titania to SA Pt, thus promoting better separation of photogenerated charges. As a result, ultra-small additives of Pt led to up to a 1.34-fold increase in the amount of released hydrogen, while the maximum apparent quantum yield (AQY) reached 65%. Full article
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18 pages, 4130 KB  
Article
Cu9S5/Gel-Derived TiO2 Composites for Efficient CO2 Adsorption and Conversion
by Shuai Liu, Yang Meng, Zhengfei Chen, Jiefeng Yan, Fuyan Gao, Tao Wu and Guangsuo Yu
Gels 2025, 11(9), 711; https://doi.org/10.3390/gels11090711 - 4 Sep 2025
Viewed by 347
Abstract
Engineering phase-selective gel composites presents a promising route to enhance both CO2 adsorption and conversion efficiency in photocatalytic systems. In this work, Cu9S5/TiO2 gel composites were synthesized via a hydrazine-hydrate-assisted hydrothermal method, using TiO2 derived from [...] Read more.
Engineering phase-selective gel composites presents a promising route to enhance both CO2 adsorption and conversion efficiency in photocatalytic systems. In this work, Cu9S5/TiO2 gel composites were synthesized via a hydrazine-hydrate-assisted hydrothermal method, using TiO2 derived from a microwave-assisted sol–gel process. The resulting materials exhibit a porous gel-derived morphology with highly dispersed Cu9S5 nanocrystals, as confirmed by XRD, TEM, and XPS analyses. These structural features promote abundant surface-active sites and interfacial contact, enabling efficient CO2 adsorption. Among all samples, the optimized 0.36Cu9S5/TiO2 composite achieved a methane production rate of 34 μmol·g−1·h−1, with 64.76% CH4 selectivity and 88.02% electron-based selectivity, significantly outperforming Cu9S8/TiO2 synthesized without hydrazine hydrate. This enhancement is attributed to the dual role of hydrazine: facilitating phase transformation from Cu9S8 to Cu9S5 and modulating the interfacial electronic environment to favor CO2 capture and activation. DFT calculations reveal that Cu9S5/TiO2 effectively lowers the energy barriers of critical intermediates (*COOH, *CO, and *CHO), enhancing both CO2 adsorption strength and subsequent conversion to methane. This work demonstrates a gel-derived composite strategy that couples efficient CO2 adsorption with selective photocatalytic reduction, offering new design principles for adsorption–conversion hybrid materials. Full article
(This article belongs to the Special Issue Gels for Removal and Adsorption (3rd Edition))
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17 pages, 3153 KB  
Review
Fabrication and Properties of Hard Coatings by a Hybrid PVD Method
by Rui Zhang, Qimin Wang, Yuxiang Xu, Lisheng Li and Kwang Ho Kim
Lubricants 2025, 13(9), 390; https://doi.org/10.3390/lubricants13090390 - 1 Sep 2025
Viewed by 712
Abstract
By integrating cathodic arc evaporation (CAE) with magnetron sputtering (MS) or high-power impulse magnetron sputtering (HiPIMS), hard coatings with diverse multicomponent compositions can be fabricated. Depending on the deposition conditions, the coatings with nano-composite or nano-multilayered microstructures are produced. During the mixing deposition [...] Read more.
By integrating cathodic arc evaporation (CAE) with magnetron sputtering (MS) or high-power impulse magnetron sputtering (HiPIMS), hard coatings with diverse multicomponent compositions can be fabricated. Depending on the deposition conditions, the coatings with nano-composite or nano-multilayered microstructures are produced. During the mixing deposition conditions, nano-composite coatings are fabricated, which can be tailored to possess combining properties of super hardness, low friction coefficient, and excellent thermal/chemical stability. For the deposition with larger rotating periods, layer-by-layer deposition was observed. By the nano-multilayered coating design, superior mechanical properties (hardness ≥ 35 GPa), modulated residual stresses, and enhanced high-temperature properties can be obtained. In addition, lubricious elements, low friction (friction coefficient < 0.4), and low wear (<10−5 mm3/N∙m) both at ambient temperature and high temperature can be realized. Among these coatings, some have been specifically designed to achieve outstanding cutting performance in high-speed cutting applications. Several nitride and oxide hard coatings, such as AlTiN, TiAlN/TiSiN, AlCrN/Cu, and AlCrO, were deposited using a hybrid industrial physical vapor deposition (PVD) coating system. The microstructure, mechanical properties, and cutting performance of these coatings will be discussed. Full article
(This article belongs to the Special Issue Wear and Friction of High-Performance Coatings and Hardened Surfaces)
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16 pages, 5043 KB  
Article
Effects of SiO2, Al2O3 and TiO2 Catalyst Carriers on CO-SCR Denitration Performance of Bimetallic CuCe Catalysts
by Dan Cui, Keke Pan, Huan Liu, Peipei Wang and Feng Yu
Catalysts 2025, 15(9), 833; https://doi.org/10.3390/catal15090833 - 1 Sep 2025
Viewed by 640
Abstract
Nitrogen oxides (NOx) emissions pose environmental and health risks. Selective catalytic reduction (SCR) is effective for NOx removal, and using CO as a reductant can eliminate both NOx and CO. This study explores CuCe catalysts on SiO2, [...] Read more.
Nitrogen oxides (NOx) emissions pose environmental and health risks. Selective catalytic reduction (SCR) is effective for NOx removal, and using CO as a reductant can eliminate both NOx and CO. This study explores CuCe catalysts on SiO2, Al2O3, and TiO2 for CO-SCR. Results show catalytic activity relates to the synergy between lattice oxygen and CuCe species. TiO2 enhances this interaction, promoting Cu+ and lattice oxygen for NO adsorption and dissociation. The CuCe/TiO2 catalyst achieves 100% NO conversion at 300 °C and 40.2% at 100 °C, indicating excellent low-temperature performance. These findings are valuable for developing efficient SCR catalysts. Full article
(This article belongs to the Special Issue Heterogeneous Catalysis in Air Pollution Control)
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11 pages, 4557 KB  
Article
Nanostructured Metal Oxide from Metallic Glass for Water Splitting: Effect of Hydrothermal Duration on Structure and Performance
by Hae Jin Park, Tae Kyung Kim, Jürgen Eckert, Sung Hwan Hong and Ki Buem Kim
Materials 2025, 18(17), 4082; https://doi.org/10.3390/ma18174082 - 31 Aug 2025
Viewed by 470
Abstract
This study investigates the optimal duration for forming a uniform oxide layer and evaluates its influence on water-splitting performance. We selected a Ti50Cu32Ni15Sn3 amorphous ribbon, which is known to simultaneously form anatase TiO2 and Sn [...] Read more.
This study investigates the optimal duration for forming a uniform oxide layer and evaluates its influence on water-splitting performance. We selected a Ti50Cu32Ni15Sn3 amorphous ribbon, which is known to simultaneously form anatase TiO2 and Sn oxide via a single hydrothermal process. Hydrothermal treatments were conducted at 220 °C in 150 mL of distilled water for durations of 3 and 6 h. The process successfully formed nanoscale metal oxides on the alloy surface, with the uniformity of the oxide layer increasing over time. The amorphous phase of the alloy was retained under all conditions. X-ray photoelectron spectroscopy (XPS) analysis confirmed the formation of TiO2 and SnOx, while Cu and Ni remained in their metallic state. Furthermore, we verified the coexistence of these oxides with metallic Ti and Sn. Photoelectrochemical analysis showed that the sample treated for 6 h exhibited the best water-splitting performance, which correlated directly with the most uniform oxide coverage. This time-controlled hydrothermal oxidation method, using only water, presents a promising and efficient approach for developing functional surfaces for electronic and photoelectrochemical applications of metallic glasses (MGs). Full article
(This article belongs to the Section Metals and Alloys)
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24 pages, 4207 KB  
Article
Acute Toxicity of Metal Oxide Nanoparticles—Role of Intracellular Localization In Vitro in Lung Epithelial Cells
by Andrey Boyadzhiev and Sabina Halappanavar
Int. J. Mol. Sci. 2025, 26(17), 8451; https://doi.org/10.3390/ijms26178451 - 30 Aug 2025
Viewed by 516
Abstract
Endocytic uptake and lysosomal localization are suggested to be the key mechanisms underlying the toxicity of metal oxide nanoparticles (MONPs), with dissolution in the acidic milieu driving the response. In this study, we aimed to investigate if MONPs of varying solubility are similarly [...] Read more.
Endocytic uptake and lysosomal localization are suggested to be the key mechanisms underlying the toxicity of metal oxide nanoparticles (MONPs), with dissolution in the acidic milieu driving the response. In this study, we aimed to investigate if MONPs of varying solubility are similarly sequestered intracellularly, including in lysosomes and the role of the acidic lysosomal milieu on toxicity induced by copper oxide (CuO) nanoparticles (NPs), nickel oxide (NiO) NPs, aluminum oxide (Al2O3) NPs, and titanium dioxide (TiO2) NPs of varying solubility in FE1 lung epithelial cells. Mitsui-7 multi-walled carbon nanotubes (MWCNTs) served as contrasts against particles. Enhanced darkfield hyperspectral imaging (EDF-HSI) with fluorescence microscopy was used to determine their potential association with lysosomes. The v-ATPase inhibitor Bafilomycin A1 (BaFA1) was used to assess the role of lysosomal acidification on toxicity. The results showed co-localization of all MONPs with lysosomes, with insoluble TiO2 NPs showing the greatest co-localization. However, only acute toxicity induced by soluble CuO NPs was affected by the presence of BaFA1, showing a 14% improvement in relative survival. In addition, all MONPs were found to be associated with large actin aggregates; however, treatment with insoluble TiO2 NPs, but not soluble CuO NPs, impaired the organization of F-actin and α-tubulin. These results indicate that MONPs are sequestered similarly intracellularly; however, the nature or magnitude of their toxicity is not similarly impacted by it. Future studies involving a broader variety of NPs are needed to fully understand the role of differential sequestration of NPs on cellular toxicity. Full article
(This article belongs to the Section Molecular Toxicology)
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26 pages, 10577 KB  
Article
Optimizing Inorganic Cs4CuSb2Cl12/Cs2TiI6 Dual-Absorber Solar Cells: SCAPS-1D Simulations and Machine Learning
by Xiangde Li, Yuming Fang and Jiang Zhao
Nanomaterials 2025, 15(16), 1245; https://doi.org/10.3390/nano15161245 - 14 Aug 2025
Cited by 1 | Viewed by 740
Abstract
Perovskite solar cells (PSCs) have emerged as a promising contender in photovoltaics, owing to their rapidly advancing power conversion efficiencies (PCEs) and compatibility with low-temperature solution processing techniques. Single-junction architectures reveal inherent limitations imposed by the Shockley–Queisser (SQ) limit, motivating adoption of a [...] Read more.
Perovskite solar cells (PSCs) have emerged as a promising contender in photovoltaics, owing to their rapidly advancing power conversion efficiencies (PCEs) and compatibility with low-temperature solution processing techniques. Single-junction architectures reveal inherent limitations imposed by the Shockley–Queisser (SQ) limit, motivating adoption of a dual-absorber structure comprising Cs4CuSb2Cl12 (CCSC) and Cs2TiI6 (CTI)—lead-free perovskite derivatives valued for environmental benignity and intrinsic stability. Comprehensive theoretical screening of 26 electron/hole transport layer (ETL/HTL) candidates identified SrTiO3 (STO) and CuSCN as optimal charge transport materials, producing an initial simulated PCE of 16.27%. Subsequent theoretical optimization of key parameters—including bulk and interface defect densities, band gap, layer thickness, and electrode materials—culminated in a simulated PCE of 30.86%. Incorporating quantifiable practical constraints, including radiative recombination, resistance, and FTO reflection, revised simulated efficiency to 26.60%, while qualitative analysis of additional factors follows later. Furthermore, comparing multiple algorithms within this theoretical framework demonstrated eXtreme Gradient Boosting (XGBoost) possesses superior predictive capability, identifying CTI defect density as the dominant impact on PCE—thereby underscoring its critical role in analogous architectures and offering optimization guidance for experimental studies. Collectively, this theoretical research delineates a viable pathway toward developing stable, environmentally sustainable PSCs with high properties. Full article
(This article belongs to the Section Solar Energy and Solar Cells)
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21 pages, 6025 KB  
Article
Solar-Activated Titanium-Based Cu4O3/ZrO2/TiO2 Ternary Nano-Heterojunction for Rapid Photocatalytic Degradation of the Textile Dye Everzol Yellow 3RS
by Saira, Wesam Abd El-Fattah, Muhammad Shahid, Sufyan Ashraf, Zeshan Ali Sandhu, Ahlem Guesmi, Naoufel Ben Hamadi, Mohd Farhan and Muhammad Asam Raza
Catalysts 2025, 15(8), 751; https://doi.org/10.3390/catal15080751 - 6 Aug 2025
Viewed by 731
Abstract
Persistent reactive azo dyes released from textile finishing are a serious threat to water systems, but effective methods using sunlight to break them down are still limited. Everzol Yellow 3RS (EY-3RS) is particularly recalcitrant: past studies have relied almost exclusively on physical adsorption [...] Read more.
Persistent reactive azo dyes released from textile finishing are a serious threat to water systems, but effective methods using sunlight to break them down are still limited. Everzol Yellow 3RS (EY-3RS) is particularly recalcitrant: past studies have relied almost exclusively on physical adsorption onto natural or modified clays and zeolites, and no photocatalytic pathway employing engineered nanomaterials has been documented to date. This study reports the synthesis, characterization, and performance of a visible-active ternary nanocomposite, Cu4O3/ZrO2/TiO2, prepared hydrothermally alongside its binary (Cu4O3/ZrO2) and rutile TiO2 counterparts. XRD, FT-IR, SEM-EDX, UV-Vis, and PL analyses confirm a heterostructured architecture with a narrowed optical bandgap of 2.91 eV, efficient charge separation, and a mesoporous nanosphere-in-matrix morphology. Photocatalytic tests conducted under midsummer sunlight reveal that the ternary catalyst removes 91.41% of 40 ppm EY-3RS within 100 min, markedly surpassing the binary catalyst (86.65%) and TiO2 (81.48%). Activity trends persist across a wide range of operational variables, including dye concentrations (20–100 ppm), catalyst dosages (10–40 mg), pH levels (3–11), and irradiation times (up to 100 min). The material retains ≈ 93% of its initial efficiency after four consecutive cycles, evidencing good reusability. This work introduces the first nanophotocatalytic strategy for EY-3RS degradation and underscores the promise of multi-oxide heterojunctions for solar-driven remediation of colored effluents. Full article
(This article belongs to the Special Issue Recent Advances in Photocatalysis for Environmental Applications)
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14 pages, 1527 KB  
Article
The Effect of the Metal Impurities on the Stability, Chemical, and Sensing Properties of MoSe2 Surfaces
by Danil W. Boukhvalov, Murat K. Rakhimzhanov, Aigul Shongalova, Abay S. Serikkanov, Nikolay A. Chuchvaga and Vladimir Yu. Osipov
Surfaces 2025, 8(3), 56; https://doi.org/10.3390/surfaces8030056 - 5 Aug 2025
Cited by 3 | Viewed by 532
Abstract
In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe2 upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated [...] Read more.
In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe2 upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated the adsorption enthalpies for various representative analytes, including O2, H2, CO, CO2, H2O, NO2, formaldehyde, and ethanol, and further evaluated their free energies across a range of temperatures. By employing the formula for probabilities, we accounted for the competition among molecules for active adsorption sites during simultaneous adsorption events. Our findings underscore the importance of integrating temperature effects and competitive adsorption dynamics to predict the performance of highly selective sensors accurately. Additionally, we investigated the influence of temperature and analyte concentration on sensor performance by analyzing the saturation of active sites for specific scenarios using Langmuir sorption theory. Building on our calculated adsorption energies, we screened the catalytic potential of doped MoSe2 for CO2-to-methanol conversion reactions. This paper also examines the correlations between the electronic structure of active sites and their associated sensing and catalytic capabilities, offering insights that can inform the design of advanced materials for sensors and catalytic applications. Full article
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