The search for sustainable construction materials has encouraged the use of industrial waste and the enhancement of cementitious composites through the application of additives and curing treatments. This study evaluated the influence of air entraining admixture (Darafill and Drycast) and accelerated carbonation on the physical, mechanical, and microstructural properties of fiber-cement composites produced with quartzite waste and unbleached kraft pulp (UKP). The composites were shaped by extrusion and subjected to carbonation in an autoclave at 0.75 kgf cm−2 for 9 h. The following properties were determined: apparent density, water absorption, porosity, flexural strength (MOR), modulus of elasticity (MOE), limit of proportionality (LOP), and toughness, as well as microstructure (SEM), mineralogical composition (XRD), and thermal stability (TG/DTG). The results showed that the additives significantly modified the cementitious matrix. Darafill promoted higher density (1.96 g cm−3) and lower porosity ( 8
Based on first-principles calculations, this study systematically investigates the effect of fluorine doping on the electronic structure of MoSe2 and evaluates its feasibility as an anode material for sodium-ion batteries. First, the dynamic stability of F-MoSe2 was verified through ab initio molecular dynamics (AIMD) simulations. Furthermore, Young’s modulus calculations indicate that the mechanical properties of F-MoSe2 (148 N/m) are significantly superior to those of MoSe2 (126 N/m). Density of states analysis indicates that the band gap of F-MoSe2 is 0.41 eV, which is significantly lower than that of MoSe2 (1.12 eV), indicating that F-doping significantly enhances conductivity. In the evaluation of sodium storage performance, the Na+ migration barrier of F-MoSe2 decreases to 0.15 eV, lower than that in MoSe2 (0.32 eV). Differential charge density analysis demonstrates higher electron transfer from Na to F-MoSe2 (0.66 e) than to MoSe2 (0.42 e). Moreover, F-MoSe2 exhibits stronger Na adsorption (–2.66 eV vs. –0.97 eV for MoSe2) and a higher average open-circuit voltage (0.34 V vs. 0.27 V for MoSe2). These findings underscore fluorine doping as an effective strategy for optimizing the sodium storage performance of MoSe2-based anodes.
In this work, a Pd–HfO2-based intrinsic-channel tunnel field-effect transistor (TFET) hydrogen gas sensor is proposed and analyzed using two-dimensional Sentaurus TCAD simulations to achieve high sensitivity and low-power gas detection. The sensing mechanism is based on the work-function modulation of palladium (Pd) induced by hydrogen adsorption, which alters the electrostatic potential and enhances the band-to-band tunneling (BTBT) probability at the source–channel junction. The proposed device demonstrates significant variations in its electrical characteristics upon hydrogen exposure, showing strong modulation of the energy-band profile, electric-field intensity, BTBT generation rate, surface potential, and drain current. The peak electric field increases from approximately 3.2 × 106 to 4.3 × 106 V/m, while the BTBT generation rate increases from nearly 0.12 × 1030 to 3.2 × 1030 cm−3 s−1, confirming enhanced tunneling carrier generation. The transfer characteristics show that the drain current varies from approximately 10−18 to 10−6 A/µm, indicating high sensitivity to hydrogen gas concentration. The proposed sensor achieves a maximum sensitivity of approximately 105 near Vgs ≈ 1.0 V. Device optimization shows that a source doping concentration of 5 × 1019 cm−3 and a high-k HfO2 gate dielectric provide improved electrostatic control and higher sensitivity than SiO2, Si3N4, and Al2O3. Temperature analysis over the range of 275–350 K demonstrates stable device operation with minimal variation in the ON-state current. Furthermore, the split-gate configuration improves the sensitivity to approximately 104, indicating enhanced control over the tunneling junction. These results confirm that the proposed TFET sensor provides high sensitivity, low leakage current, and stable operation, making it a promising candidate for low-power hydrogen gas sensing applications.
PbxSr1−xTiO3 (PST) can exhibit positive temperature coefficient of resistivity (PTCR) behavior near its Curie temperature (TC), which corresponds to the ferroelectric–paraelectric (FE–PE) phase-transition temperature. The TC of PST increases with the Pb/Sr atomic ratio. In this study, Pb0.60Sr0.40Ti1.003O3 PTCR materials with different composition fluctuations were fabricated using a solid-state reaction technique. The composition fluctuations of Pb0.60Sr0.40Ti1.003O3 (determined by variations in the Pb/Sr atomic ratio) were modulated by adjusting: (1) the degree of powder mixing of micro-sized raw materials through mechanical and manual mixing, and (2) the isothermal soaking time during the solid-state reaction. The effects of composition fluctuations on the PTCR characteristics, particularly the resistivity-jump temperature range (ΔT), of Pb0.60Sr0.40Ti1.003O3 were investigated. The results demonstrated that, for Pb0.60Sr0.40Ti1.003O3 samples with larger composition fluctuations, the relatively high abundance of PST phases with higher Pb/Sr atomic ratios (i.e., higher-TC phases) could partially separate the PST phases with lower Pb/Sr atomic ratios (i.e., lower-TC phases), resulting in a larger ΔT, a higher ρmax, and, consequently, a higher ρmax/ρmin ratio. For example, sample h30 (manual mixing for 30 min), which exhibited larger composition fluctuations, showed a ΔT of 182°C, a ρmax of 17.78 MΩ cm, and a ρmax/ρmin ratio of 7.23 × 103. In contrast, sample b720 (ball mixing for 720 min), which exhibited smaller composition fluctuations, showed a ΔT of 148°C, a ρmax of 0.30 MΩ cm, and a ρmax/ρmin ratio of 2.30 × 102. Therefore, controlling composition fluctuations is an effective strategy for extending ΔT and increasing the ρmax/ρmin ratio of Pb0.60Sr0.40Ti1.003O3, thereby improving its operational safety in practical applications.
The fine metal mask (FMM) is a core high-value consumable in the vacuum evaporation process for silicon-based OLED microdisplays. The size of its micro-apertures and the accuracy of their geometric profiles directly determine the display resolution and production yield. To meet the stringent requirements imposed by high-resolution OLEDs on FMM aperture dimensions and mask thickness, this study focuses on the fabrication of Invar Fe–Ni alloy thin films based on electrodeposition. In particular, it aims to address two key technical challenges: thickness non-uniformity of the FMM and cracking of the electroformed layer. The main findings of this study are summarized as follows. A pulse micro-electroforming experimental platform was established. A micro-electroforming simulation model was developed via numerical simulation using COMSOL to investigate the effects of stirring speed (rpm) and anode–cathode spacing on the thickness uniformity and deposition rate of the electroformed layer. In addition, pulse micro-electroforming was employed to mitigate the cracking tendency observed during direct current (DC) electrodeposition. Particular attention was given to the influences of duty cycle and frequency on the surface morphology and chemical composition of the electroformed deposits. The results show that increasing the rpm and the anode–cathode spacing effectively improves thickness non-uniformity. When the duty cycle is below 30
This study presents the synthesis and characterization of β-LiAlSi2O6 (β-spodumene) ceramic pigments co-doped with Cr3+ and Co2+ ions, produced via a gelatin-assisted proteic sol–gel method, with the objective of generating novel and stable colorations with potential industrial applications. The synthesis pathway involved the formation of xerogels under acidic conditions, followed by pre-calcination at 700°C and final calcination at 1100°C, which ensured the crystallization of a single, pure phase. Thermal analyses (TGA/DTA) confirmed the complete removal of organic residues, while X-ray diffraction, combined with Rietveld refinement, demonstrated the formation of the tetragonal β-LiAlSi2O6 phase (space group P43212) without secondary phases, evidencing the effective incorporation of dopant ions. The X-ray fluorescence analysis concluded that the Cr3+ and Co2+ dopants were successfully incorporated into the samples. Optical characterization by diffuse reflectance spectroscopy (Vis–NIR DRS) revealed pigments exhibiting novel bluish hues, arising from absorption bands associated with d–d electronic transitions. These findings demonstrate that the obtained pigments display high structural stability and strong potential for application in ceramics and glass, thereby broadening the prospects for sustainable sol–gel-derived materials.
Hypertensive heart disease (HHD), characterized by cardiomyocyte apoptosis and mitochondrial dysfunction, remains clinically challenging due to the lack of targeted therapeutic strategies. Although Ethoxysanguinarine (Eth) exhibits cardioprotective effects via Bcl-2/Bax modulation and antioxidant activity, its poor solubility and low in vivo targeting efficiency limit its application. In this study, we developed a dual-functional nanoelectrode system (1-CMCS-2-APTMS@Eth) that enables efficient intracellular delivery of Eth and real-time monitoring of therapeutic responses in cardiomyocytes. The nanocarrier, based on APTMS-modified chitosan, was further functionalized with a π-conjugated electroactive fluorophore (compound 1) and a plant-derived polyphenol (compound 2). The resulting nanocomposite ( 690 nm) exhibited excellent biocompatibility and cell permeability. Cyclic voltammetry confirmed successful intracellular localization, while amperometric analysis revealed a sixfold increase in ROS levels upon Eth treatment. Furthermore, in an angiotensin II-induced cardiomyocyte apoptosis model, the system demonstrated effective modulation of mitochondrial-dependent apoptotic pathways. This work provides a promising nanoplatform for precise intervention and mechanistic evaluation of natural product-based therapies in HHD.
The recovery of waste heat has become a central concern in recent years for advancing sustainable energy systems and mitigating the energy crisis. Thermoelectric generators have gained significant attention among various waste heat management technologies. This work investigates the structural, vibrational, mechanical, electronic, and thermoelectric properties of the SrAlSiH hydride. The calculations have been performed using density functional theory, density functional perturbation theory, and semiclassical Boltzmann transport equations. The optimized lattice parameters for the compound are a = 4.23 Å and c = 4.95 Å. The hydride is found to be dynamically and mechanically stable, with a brittle nature. The generalized gradient approximation has been used for electronic structure calculations, which reveal it to be a semiconductor with an indirect band gap of 0.63 eV. The sharp valence band features result in a notably low effective hole mass (0.382m0), leading to a longer relaxation time for holes than for electrons. Thermoelectric parameters were calculated as a function of carrier concentration in the temperature range of 300–900 K. The calculated value of the lattice thermal conductivity at room temperature is 24.80 W m−1 K−1. A maximum thermoelectric figure of merit of 0.90 is achieved for p-type doping along the a-axis at 900 K. The present work proposes SrAlSiH hydride as a potential candidate for efficient p-type high-temperature thermoelectric applications.
This study presents an innovative molecularly integrated process for the preparation of corrosion-resistant polyurethane (PU) nanocomposites from waste cooking oil (WCO), with a focus on waste valorization as a means of advancing the circular economy and contributing to the UN Sustainable Development Goals (SDGs). This is the only study that integrates chemical structure, surface morphology, and performance metrics, whereas previous works have primarily focused on formulation or macro-properties using multi-technique analysis. Synthesis of the PU matrix was achieved as a result of the reaction between the fatty amide resin that had been obtained after the WCO treatment and toluene diisocyanate (TDI) at a ratio between NCO and OH of 1.1:1 at mild conditions. To improve performance, synergistic nano-zinc oxide (ZnO) and activated carbon (AC) nanocomposites were incorporated into the matrix, and the resulting variants were further reinforced to enhance thermal stability, mechanical strength, and corrosion-resistance. The chemical and structural features were measured by Fourier transform infrared spectroscopy, nuclear magnetic resonance, and scanning electron microscopy, which allowed analysis of the material structure and properties through a complex structure-property correlation scenario that has rarely been studied in previous PU research. FTIR analysis confirmed the presence of urethane linkages, and NMR analysis provided information on the most important backbone and side-chain chemical environments. The SEM and energy-dispersive X-ray spectroscopy analyses showed uniform surface morphology and improved anti-corrosive behavior, especially in the nanofiller-reinforced types, when subjected to simulated marine conditions. Markedly, the corrosion resistance of both fillers of WCO-based PU nanocomposites was higher than commercial petroleum-based coatings, indicating their high feasibility for industrial applications. This is the first study to establish a systematic connection between FTIR and NMR spectral signature and anticorrosive life in WCO-derived PU systems and provide new knowledge in the field of structure-performance correspondence. The study results address the gaps in knowledge between green formulation chemistry and nanoscale structural engineering, as well as creating a stable foundation for scalable eco-efficient polymer materials. The future directions are complete mechanical benchmarking, scale-up synthesis, and commercialization by life-cycle assessment.
NdFeO3 perovskites were prepared by using the ball milling solid-state reaction technique to investigate their structural, dielectrical, and electrochemical properties for energy storage and supercapacitor applications. X-ray diffraction studies confirm the formation of an orthorhombic structure with the Pnma space group, and a crystallite size of 65 nm was obtained from the Debye–Scherrer method. Furthermore, the Rietveld refinement technique provides deeper insights into the structure through the determination of lattice parameters and bond lengths. Investigation of the dielectric constant and loss tangent at room temperature as a function of frequency revealed the presence of Maxwell–Wagner type space charge polarization in the material. Electrochemical investigations were accomplished using the three-electrode arrangement with 1 M KOH solution as an electrolyte, which gives the pseudocapacitive nature and origin of redox peaks in cyclic voltammogram curves. NdFeO3 shows a specific capacitance of around 97.41 F g–1 at a current density of 1 A g–1 with energy density and power density of 4.55 Wh kg–1 and 290 W kg–1, respectively, and maintains 64
Over the past few decades, phosphor-converted light-emitting diodes (pc-LEDs) have undergone significant advancements, resulting in substantial energy reductions. Considering the merits, improving the functionalities of phosphors was an igniting topic of study for the research community. In this context, the present study focuses on the synthesis of a series of Y2–xSmxWO6 (x = 0.01–0.11) phosphors using a solution combustion (SC) method. X-ray diffraction (XRD) analysis of the prepared phosphors confirmed the monoclinic phase with the P2/c space group. Morphological studies revealed a rod-like morphology. Utilizing diffuse reflectance (DR) data, the energy bandgap (Eg) of the phosphors was estimated and found to be lie in the range of 3.64–3.79 eV. Photoluminescence (PL) emission spectra exhibited three intense and sharp peaks at 566, 604, and 656 nm, corresponding to the transitions from the 4G5/2 state of Sm3+ ions to 6HJ (J = 5/2, 7/2, and 9/2) lower energy multiplets, respectively. Notably, the prepared phosphors exhibited high color purity ( 99.7
The phase formation in the Hf1–xTixO2 and Zr1–xTixO2 (x = 0–1) thin films obtained by atomic layer deposition has been systematically investigated. The elemental composition, long-range order, and short-range atomic structure of the as-deposited and vacuum-annealed (700–900°C) films were characterized by X-ray photoelectron spectroscopy, X-ray diffraction, Raman and IR spectroscopy. The results show that the crystallization behavior is highly dependent on the Ti content (x) and post-deposition annealing. As-deposited films are predominantly amorphous for 0.13 < x < 0.875, while binary and lightly alloyed oxides (x ≈ 0 or x ≈ 1) are polycrystalline. Annealing induces crystallization into distinct phase regions: solid solutions based on HfO2 or ZrO2 phases at low x, orthorhombic HfTiO4 or ZrTiO4 titanates at intermediate x = 0.25–0.5, mixtures of titanates with TiO2 phases at x = 0.67–0.75 and anatase-based solid solutions at higher x. IR spectroscopy demonstrates the presence of the bands characteristic of TiO2 phases (anatase, rutile) across a wide concentration range. This study elucidates the non-equilibrium phase evolution in ALD-grown Hf–Ti–O and Zr–Ti–O films, highlighting the critical influence of composition and thermal treatment on the resulting structure.
In this study, graphene oxide (GO)-doped cholesteric liquid crystal (CLC) composites were designed and analyzed to investigate their electro-optical and dielectric properties. Samples comprising pure CLC and CLC containing 0.5 wt.
The design and development of highly efficient catalysts are essential for the removal of air pollutants through catalytic oxidation. In this study, the structural and surface properties of LaFeO3 perovskite oxides were effectively tailored using a dual strategy involving MOF-assisted synthesis and Mn doping, resulting in significantly enhanced CH4 oxidation activity. Among the investigated catalysts, LaMn0.1Fe0.9O3-SG exhibited the best catalytic performance, achieving T50 and T90 values of 495 and 577 °C, respectively. Comprehensive characterization revealed that the enhanced catalytic activity is primarily attributed to the increased specific surface area generated by the MOF-assisted synthesis strategy, which provides more accessible active sites for CH4 adsorption and activation. In addition, Mn doping modifies the surface electronic structure, leading to the formation of abundant lattice oxygen species and enhancing oxygen activation and mobility through the Mars–van Krevelen (MvK) mechanism. The synergistic effects of the MOF-assisted synthesis strategy and Mn doping effectively regulate the structural and surface properties of the perovskite oxides, resulting in superior catalytic performance. This study provides an effective strategy for the rational design of high-performance perovskite catalysts for environmental catalytic applications.
