Search Results (199)

This work presents a multifactorial strategy for reusing waste thermoplastics and generating multifunctional filaments for additive manufacturing. Acrylonitrile–butadiene–styrene (ABS) waste and commercial poly(methyl methacrylate) (PMMA) were compounded with carbon black (CB), graphene (G), or graphene foam (GF) at different loadings and extruded into composite filaments. The aim is to couple filler-induced bulk modifications with atmospheric pressure plasma jet (APPJ) surface coatings of TiO₂ and graphene oxide (GO) to obtain waste-derived filaments with tunable morphology, wettability, and thermal stability for advanced 3D-printed architectures. The filaments were subsequently coated with TiO₂ and/or GO using an APPJ process, which tailored surface wettability and enabled the formation of photocatalytically relevant interfaces. Digital optical microscopy and SEM revealed that CB, G, and GF were reasonably well dispersed in both polymer matrices but induced distinct surface and cross-sectional morphologies, including a carbon-rich outer crust in ABS and filler-dependent porosity in PMMA. For ABS composites, static contact-angle measurements show that APPJ coatings broaden the apparent wettability window from ~60–80° for uncoated filaments to ~40–50° (TiO₂/GO) up to >90° (GO), corresponding to a ≈150% increase in contact-angle span. For PMMA/CB composites, TiO₂/GO coatings expand the accessible contact-angle range to ~15–125° while maintaining surface energies around 50 mN m⁻¹. TGA/DSC analyses confirm that the composites and coatings remain thermally stable within typical extrusion and APPJ processing ranges, with graphene showing only ≈3% mass loss over the explored temperature range, compared with ≈65% for CB and ≈10% for GF. Fused deposition modeling trials verify the printability and dimensional fidelity of ABS-based composite filaments, whereas PMMA composites were too brittle for reliable FDM printing. Overall, combining waste polymer reuse, tailored carbonaceous fillers, and APPJ TiO₂/GO coatings provides a versatile route to design surface-engineered filaments for applications such as photocatalysis, microfluidics, and soft robotics within a circular polymer manufacturing framework. Full article

The development of composite materials with tunable dielectric properties that preserve mechanical performance is essential for next-generation radio engineering devices. In this study, composite filaments based on acrylonitrile–butadiene–styrene (ABS) with 0–40 wt.% TiO₂ solid loading were developed for 3D printing. The dielectric permittivity and mechanical properties of the 3D-printed parts strongly depend on the TiO₂ content. Using these filaments, we fabricated biomimetic lattices based on triply periodic minimal surfaces (TPMSs) using fused filament fabrication (FFF). The intrinsic porosity of the TPMS lattices further enables tuning of dielectric permittivity, facilitating their integration into gradient-index components. This multifunctionality was demonstrated by fabricating a spherical Luneburg lens prototype, which exhibited stable antenna performance in the 8.0–12.5 GHz frequency range. The results confirm that TPMS lattices based on the ABS-TiO₂ composite can simultaneously deliver mechanical robustness and dielectric tunability, opening new pathways toward multifunctional components for advanced radio engineering systems and beyond. Full article

Background: Gynecological infections, including bacterial vaginosis, vulvovaginal candidiasis, and recurrent urinary tract infections, represent a major clinical burden and are often complicated by biofilm formation and antimicrobial resistance. Novel non-antibiotic strategies are urgently needed. We previously demonstrated the antimicrobial activity of silver-bound titanium dioxide (TiAB) against multidrug-resistant bacteria isolated from dermatological infections. Objectives: We evaluated whether TiAB, at concentrations used in marketed medical devices, exerts antibacterial and antifungal effects against clinically relevant vaginal isolates by determining Minimum Inhibitory Concentration/ Minimum Bactericidal and Fungicidal Concentration (MIC, MBC/MFC), and time–kill kinetics. Methods: A total of 73 clinical isolates were collected from vaginal swabs, including Staphylococcus aureus (MSSA, MRSA), Escherichia coli (ESBL+ and non-ESBL), Klebsiella pneumoniae, Enterococcus spp., Streptococcus agalactiae, and Candida albicans. Minimum inhibitory concentrations (MICs) and minimum bactericidal/fungicidal concentrations (MBCs/MFCs) were determined by broth microdilution, and bactericidal activity was confirmed by time-kill assays. Results: TiAB exhibited potent activity against Gram-negative bacteria, with median MIC values of 1–2% (w/v) for E. coli and K. pneumoniae. Gram-positive isolates, including S. agalactiae and Enterococcus spp., showed higher MIC values (2–4%). Candida albicans displayed fungistatic inhibition at 4%. Time-kill assays confirmed rapid bactericidal effects for Gram-negative isolates within 8 h at 2× MIC, while Gram-positive bacteria required prolonged exposure. Conclusions: These findings extend previous evidence of TiAB’s antimicrobial properties to gynecological pathogens, supporting its potential as a topical, non-antibiotic option for managing vaginal infections in an era of rising antimicrobial resistance. Further in vivo validation is warranted. Full article

Recent advances in energy conversion technologies, especially solar-driven photocatalytic water splitting, are vital for satisfying the increasing global need for sustainable and clean energy. Perovskite oxides have attracted considerable attention among photocatalytic materials due to their tunable electronic structures, exceptional stability, and promise for effective hydrogen generation and environmental remediation. In this study, the optoelectronic and photocatalytic (PC) characteristics of ATiO₃ (A = Ca, Mg) perovskites, undoped and codoped with Se and Zr, have been analyzed using ab initio simulations based on the density functional theory (DFT). The calculated formation energies for codoped systems range from −1.01 to −3.32 Ry/atom, confirming their thermodynamic stability. Furthermore, band structure calculations indicate that the undoped compounds CaTiO₃ and MgTiO₃ possess indirect band gaps of 2.766 eV and 2.926 eV, respectively. In contrast, codoping alters the electronic properties by changing the band gap from indirect to direct and reducing its energy, resulting in the direct band gap values 2.153 eV, 1.374 eV, 2.159 eV, and 1.726 eV for the compounds ${{\mathrm{C}\mathrm{a}}_8\mathrm{T}\mathrm{i}}_7{\mathrm{Z}\mathrm{r}}_1{\mathrm{O}}_{23}{\mathrm{S}\mathrm{e}}_1$, ${{\mathrm{C}\mathrm{a}}_8\mathrm{T}\mathrm{i}}_6{\mathrm{Z}\mathrm{r}}_2{\mathrm{O}}_{22}{\mathrm{S}\mathrm{e}}_2$, ${{\mathrm{M}\mathrm{g}}_8\mathrm{T}\mathrm{i}}_7{\mathrm{Z}\mathrm{r}}_1{\mathrm{O}}_{23}{\mathrm{S}\mathrm{e}}_1$, and ${{\mathrm{M}\mathrm{g}}_8\mathrm{T}\mathrm{i}}_6{\mathrm{Z}\mathrm{r}}_2{\mathrm{O}}_{22}{\mathrm{S}\mathrm{e}}_2$, respectively. Additionally, this codoping improves light absorption and optical conductivity in the visible and ultraviolet ranges. These enhancements become increasingly evident with elevated dopant concentrations, leading to intensified light–matter interactions. Analysis of the band edge potentials reveals that the Se-/Zr-codoped CaTiO₃ compounds satisfy the necessary criteria for the photodissociation of water, conferring on them an ability to generate H₂ and O₂ under light irradiation. However, under different pH conditions, Se-/Zr-codoped MgTiO₃ is expected to perform better at higher pH levels, while Se-/Zr-codoped CaTiO₃ is more effective at lower pH levels. These findings highlight the promise of codoped materials for renewable energy applications, such as solar-driven hydrogen production and optoelectronic devices, with pH being a critical factor in enhancing their photocatalytic performance. Full article

This study aims to develop an AB₂-type Ti-Mn-based alloy with low operating pressure and favorable activation performance for use in a compact hydrogen storage tank. The optimized alloy, Ti_0.75Zr_0.25Cr_0.75Mn_1.2 + 1.5 wt.% Ce, was produced at scale and exhibits a maximum hydrogen storage capacity of 1.87 wt.% and excellent hydrogen activation properties. Furthermore, compositing the mass-produced alloy with 5 wt.% aluminum foam increases the hydride tank’s hydrogen discharge rate by 50%. A prototype aluminum tank containing 57.8 g of hydrogen is demonstrated to stably supply hydrogen to a 220 W fuel cell, enabling continuous operation at rated power output. The work provides a material solution with potential industrial applicability for compact, low-pressure hydrogen storage systems. Full article

The stability and mechanical properties of (TiZrHf)_1−x(AB)_x (AB = NbTa, NbMo, MoTa) refractory high-entropy alloys have been investigated by combining the first-principles with special quasi-random structure (SQS) method. It is found that with the increase in solute concentration x, the ΔH_mix of (TiZrHf)_1−x(AB)_x (AB = NbMo, MoTa) linearly decreases, whereas both ΔH_mix and ΔS_mix of (TiZrHf)_1−x(NbTa)_x increase initially and subsequently decrease, with the crossover occurring at x = 0.56. The ΔH_mix of (TiZrHf)_1−x(NbTa)_x and (TiZrHf)_1−x(AB)_x (AB = NbMo, MoTa) alloys are larger and lower than that of TiZrHf, respectively, while the ΔS_mix of all (TiZrHf)_1−x(AB)_x is larger than that of TiZrHf. The formation possibility parameter Ω of all (TiZrHf)_1−x(AB)_x (AB = NbMo, MoTa) first decreases sharply, followed by a gradual decrease. And the local lattice distortion (LLD) parameter δ remains relatively stable around x = 0.56 for all cases, after which it decreases sharply until x = 0.89. The δ value of (TiZrHf)_1−x(AB)_x is higher than that of TiZrHf for x < 0.56 but becomes lower beyond this composition. The valence electron concentration (VEC), a possible indicator for a single-phase solution, of (TiZrHf)_1−x(AB)_x increases nearly linearly, while the formation energy ΔH_f of (TiZrHf)_1−x(AB)_x shows the opposite tendency, except for (TiZrHf)_0.67(NbTa)_0.33. Furthermore, the VEC of all (TiZrHf)_1−x(AB)_x alloys increases, whereas their ΔH_f decreases compared to that of TiZrHf. The ideal strength σ_p of (TiZrHf)_1−x(AB)_x increases linearly, reaching approximately 2.12 GPa. The bulk modulus (B), elastic modulus (E), and shear modulus (G) also exhibit linear increases, and their values in all (TiZrHf)_1−x(AB)_x alloys are higher than those of TiZrHf, with some exceptions. The Cauchy pressure (C₁₂–C₄₄) and Pugh’s ratio G/B of all (TiZrHf)_1−x(AB)_x alloys increase, whereas the Poisson’s ratio ν exhibits the opposite trend. Moreover, the C₁₂–C₄₄ and G/B ratio of TiZrHf are lower and higher, respectively, than those of (TiZrHf)_1−x(AB)_x, and the ν of TiZrHf is lower than that of (TiZrHf)_1−x(AB)_x. This study provides valuable insights for the design of high-performance TiZrHf-based refractory high-entropy alloys. Full article

Elastic isotropy is a phenomenon in which a material responds uniformly to stress, regardless of its direction. In the case of cubic crystals, which possess distinct crystallographic directions, this represents a remarkable manifestation of quantum mechanics in macroscopic objects. Such behavior of a crystal cannot be explained within the framework of classical physics. The phenomenon is closely related to the balancing of internal forces resulting from Coulomb interactions, Pauli repulsion, and the overlap in the bands when stress is applied to the crystal. On the macroscopic level, this corresponds to the relationship between elastic constants given by 2 C₄₄/(C₁₁ − C₁₂) = 1. The subject of the present work is to demonstrate the influence of the number of valence electrons per atom in binary titanium alloys with vanadium, niobium, and tantalum on the shape of the anisotropy curve. The result of the work is the identification of a new Ti-53Nb alloy exhibiting elastic isotropy, and the demonstration that this phenomenon cannot occur for TiTa alloys, in the range of mechanical stability of these alloys. This study includes a summary of the main trends exhibited by the elastic constants, Young’s modulus, and bulk modulus of the discussed Ti-based alloys, based on ab initio methods. Additionally, the work addresses the well-known difficulty in determining the elastic constants of vanadium and niobium, along with a proposed solution that offers significant improvement in reproducing experimental results compared to the conventional use of the PBE (Perdew–Burke–Ernzerhof) functional. Full article

In this study, highly ordered titanium dioxide nanotubes (TiO₂-NTs) have been synthesized using the electrochemical anodization procedure. Subsequently, the TiO₂-NTs were successfully decorated with PbS nanoparticles (NPs) using the pulsed KrF-laser deposition (PLD) technique under vacuum and under different Helium background pressures (P_He) ranging from 50 to 400 mTorr. The prepared samples (PbS-NPs/TiO₂-NTs) were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), and UV–Vis and photoluminescence spectroscopies. XRD analyses confirmed that all TiO₂-NTs crystallized in the anatase phase, while the PbS-NPs crystallized in the cfc lattice. The average crystallite size of the (200) crystallites was found to increase from 21 to 33 nm when the pressure of helium (PHe) was raised from vacuum to 200 mTorr and then dropped back to ~22 nm at P_He = 400 mTorr. Interestingly, the photoluminescence intensity of the PbS-NPs/TiO₂-NTs samples was found to start diminishing for P_He ≥ 200 mTorr, indicating a lesser recombination rate of the photogenerated carriers, which also corresponded to a better photocatalytic degradation of the Amido Black (AB) dye. Indeed, the PbS-NPs/TiO₂-NTs samples processed at P_He = 200 and 300 mTorr were found to exhibit the highest photocatalytic degradation efficiency towards AB with a kinetic constant 130% higher than that of bare TiO₂-NTs. The PbS-NPs/TiO₂-NTs photocatalyst samples processed under P_He = 200 or 300 mTorr were shown to remove 98% of AB within 180 min under UV light illumination. Full article

Objectives: To evaluate the in vitro antimicrobial activity of TiAB, a compound based on silver-bound titanium dioxide, against clinical isolates from dermatological infections. Methods: We tested 155 strains clinically isolated from ulcers and skin infections, including MRSA, ESBL-producing Enterobacterales, and P. aeruginosa. MIC and MBC values were determined using broth microdilution according to CLSI guidelines. Time-kill assays were performed at 0.5×, 1×, and 2× MIC. Median values were used to describe susceptibility profiles. Results: TiAB exhibited strong bactericidal activity against Gram-negative bacteria, including ESBL-positive E. coli and K. pneumoniae, with complete killing at 2× MIC (4–8%) within 4–8 h. Gram-positive pathogens exhibited higher MICs (≥8%) and limited response within 24 h; however, extending exposure to 48 h resulted in enhanced activity. Conclusions: TiAB exhibited in vitro bactericidal activity with median MIC values ranging from 1% to 2% (w/v) against Gram-negative clinical isolates such as E. coli and P. aeruginosa, and 2% to 4% against Gram-positive strains including MRSA. Time-kill assays confirmed ≥3 log₁₀ CFU/mL reductions for Gram-negative bacteria at 2× MIC within 24 h. These results suggest TiAB’s potential as a topical antimicrobial agent, though further in vivo studies are needed to validate its safety and efficacy. Full article

This work focused on the photocatalytic performance enhancement of titanium dioxide (TiO₂) nanotubes decorated by gold nanoparticles. The surface of the nanotubes synthesized using the anodization technique was modified with subsequent deposition of gold nanoparticles (Au-NPs) via electrophoretic deposition. The impact of electrophoretically deposited gold nanoparticles (Au-NPs) on TiO₂ nanotubes, with varying deposition times (5 min, 8 min and 12 min), was investigated in the degradation of amido black (AB) dye. The morphological analysis using scanning electron microscopy (SEM, TESCAN VEGA3, TESCAN Orsay Holding, Brno, Czech Republic) and transmission electron microscopy (TEM, JEM—100CX2, JEOL Japan). revealed a well-organized nanotubular structure of TiO₂, with a wall thickness of 25 nm and an internal diameter of 75 nm. Optical study, including photoluminescence and diffuse reflectance spectroscopy, provided evidence of charge transfer between the Au-NPs and the TiO₂-NTs. Furthermore, the photocatalytic measurements showed that the enhanced photocatalytic activity of the TiO₂-NTs resulted from successful Au deposition onto their surface, surpassing that of the pure sample. This improvement is attributed to the higher work function of gold nanoparticles, which effectively promoted the separation of photogenerated electron–hole pairs. The sample Au-NPs/TiO₂-NTs with a deposition time of 5 min exhibited the best photocatalytic efficiency, achieving an 85% degradation rate after 270 min under UV irradiation. Moreover, the enhancement obtained was also attributed to the plasmonic effect induced by Au-NPs. Kinetic investigations revealed that the photocatalytic reaction followed apparent first-order kinetics, highlighting the efficiency of Au-NPs/TiO₂-NTs as a photocatalyst for dye degradation. Full article

This paper explores the potential of the airbrushing method as a novel and cost-effective method for producing uniform titanium dioxide (TiO₂) films, crucial for enhancing the efficiency of dye-sensitized solar cells. The techniques performed were SEM and EDS images, OCP curves, photochronoamperometry, j-V curves, and impedance spectroscopy. Comparative analysis with the doctor blade methodology has noted a higher uniformity compared to the AB method, with the ability to improve the charge transportation and PCE (1.987%) and reduce the recombination process in the TiO₂/electrolyte interface (ԏe = 0.012 s). Insights from EIS spectroscopy and intensity-modulated spectroscopy offer mechanistic elucidations of the enhanced performance. Overall, this study highlights airbrushing as a promising approach for advancing the development of high-performance solar energy systems. Full article

Zirconia is used widely for high-precision custom abutments; however, stress concentration can compromise osseointegration. Although glass–ceramic spray deposition (GCSD) can enhance the surface properties of zirconia, its biological effects remain unclear. In this study, the biological responses of human osteoblast-like (MG-63) cells to GCSD-modified zirconia surfaces were evaluated to assess the potential application in zirconia abutments. Disk-shaped zirconia and titanium alloy samples were prepared; titanium served as the control (Ti). Zirconia was subjected to polishing (NT), airborne-particle abrasion (AB), or GCSD with (GE) or without (GC) hydrofluoric acid (HF) etching. Surface characteristics, including wettability, surface energy (SE), and surface potential (SP), were analyzed. Cytotoxicity and MG-63 cell adhesion were assessed using the PrestoBlue assay, scanning electron microscopy (SEM), viability staining, and confocal laser scanning microscopy (CLSM). Statistical analysis was performed with a significance level of 0.05. GCSD produced a dense glass–ceramic coating on the zirconia surface, which significantly enhanced hydrophilicity as indicated by reduced water contact angles and increased SE in the GC and GE groups (p < 0.05). HF etching increased SP (p < 0.05). No cytotoxicity was observed in any group. SEM, viability staining, and CLSM revealed enhanced MG-63 cell attachment on Ti and GE surfaces and the highest viability ratio in the GE group. The NT group exhibited the lowest cell attachment and viability at all time points. GCSD effectively improved zirconia abutment surface properties by enhancing hydrophilicity and promoting MG-63 cell adhesion, with biocompatibility comparable to or better than that of titanium. Full article

Barium titanate (BaTiO₃) has long been recognized as a promising photocatalyst for solar-driven water splitting due to its unique ferroelectric, piezoelectric, and electronic properties. This review provides a comprehensive analysis of atomistic simulation studies of BaTiO₃, highlighting the role of density functional theory (DFT), ab initio molecular dynamics (MD), and classical all-atom MD in exploring its photocatalytic behavior, in line with various experimental findings. DFT studies have offered valuable insights into the electronic structure, density of state, optical properties, bandgap engineering, and other features of BaTiO₃, while MD simulations have enabled dynamic understanding of water-splitting mechanisms at finite temperatures. Experimental studies demonstrate photocatalytic water decomposition and certain modifications, often accompanied by schematic diagrams illustrating the principles. This review discusses the impact of doping, surface modifications, and defect engineering on enhancing charge separation and reaction kinetics. Key findings from recent computational works are summarized, offering a deeper understanding of BaTiO₃’s photocatalytic activity. This study underscores the significance of advanced multiscale simulation techniques for optimizing BaTiO₃ for solar water splitting and provides perspectives on future research in developing high-performance photocatalytic materials. Full article

In order to improve the hydrogen storage properties of Laves phase AB₂-type alloys, a series of Ti_1−xZr_xMn_1.0Cr_0.85Fe_0.1 (x = 0.1–0.5) alloys were prepared by arc melting. The effects of Zr content on microstructure and hydrogen storage properties was investigated in detail. Crystal structure characterizations confirmed that all the alloys exhibit a single-phase C14 Laves structure, and the lattice parameters increase with increasing Zr content. The hydrogen storage measurements of the alloys indicate that with increasing Zr content, the hydrogen storage capacity initially increases and then decreases. The hydrogen absorption and desorption measurements of the alloys were performed by a Sieverts-type apparatus. Pressure–composition–temperature (P-C-T) tests at various temperatures showed that all the alloys display sloped plateaus. Increasing Zr content results in a gradual decrease in hydrogen absorption and desorption plateau pressures. Moreover, these alloys exhibit varying degrees of hysteresis, which also becomes more pronounced with a rise in Zr content. In summary, the Ti_0.7Zr_0.3Mn_1.0Cr_0.85Fe_0.1 alloy demonstrates the best comprehensive hydrogen storage capacity. Further investigation on the cyclic performance of the Ti_0.7Zr_0.3Mn_1.0Cr_0.85Fe_0.1 alloy was conducted. It was found that the alloy particles undergo significant pulverization after hydrogenation cycles, but the alloy maintained good phase structure stability and hydrogen storage performance. Full article

Exocarpium Citrus grandis is a traditional Chinese medicinal and edible herb whose pharmacological efficacy is closely tied to its aging duration. The accurate discrimination of aging years is essential for quality control but remains challenging due to limitations in current analytical techniques. This study proposes a novel feature-optimized classification framework that integrates hyperspectral imaging (HSI) with a Broad Learning System (BLS). Bilateral spectral data (side A and side B) were collected to capture more comprehensive sample information. A combination of normalization (NOR) preprocessing and the Iterative Variable Importance for Spectral Subset Selection Algorithm (iVISSA) was found to be optimal. The NOR–iVISSA–BLS model achieved classification accuracies of 94.09 ± 1.01% (side A) and 95.10 ± 0.82% (side B). Furthermore, cross-validation between the two sides (A→B: 94.92%, B→A: 94.11%) confirmed the model’s robustness and generalizability. This dual-side spectral validation strategy offers a rapid, nondestructive, and reliable solution for the vintage authentication of Exocarpium Citrus grandis, contributing to the modernization of quality control in medicinal foodstuffs. Full article