Search Results (933)

The rational design of electrode materials with tailored composition and architecture is crucial for advancing high-capability electrochemical energy storage systems. This study reports that gadolinium-modified NiFe₂O₄ nanosheet electrodes were effectively synthesized on nickel foam via a hydrothermal approach followed by thermal treatment. A series of compositions (NiFe, NiFe–Gd1, NiFe–Gd2, and NiFe–Gd3) were prepared to systematically examine the effect of Gd incorporation on structural features and electrochemical properties. X-ray diffraction (XRD) analysis confirmed the formation of the cubic spinel NiFe₂O₄ phase without detectable secondary phases, indicating that the crystal structure remains intact after Gd introduction. X-ray photoelectron spectroscopy (XPS) further verified the presence of Ni²⁺, Fe³⁺, and Gd³⁺ species within the lattice environment. Morphological analysis using field-emission scanning electron microscopy (FESEM) revealed a nanosheet-based architecture, where the optimized NiFe–Gd2 electrode exhibited a porous and interconnected nanosheet framework with abundant exposed edges. This structural configuration improves electrolyte penetration and facilitates efficient ion transport during charge storage processes. Electrochemical measurements demonstrated that the NiFe–Gd2 electrode delivers an areal capacitance of 5235 mF cm⁻² at 10 mA cm⁻², along with improved reaction kinetics and low internal resistance. An asymmetric supercapacitor assembled using NiFe–Gd2 as the positive electrode and activated carbon as the negative electrode operated stably within a 0–1.5 V potential window, achieving an energy density of 0.136 mWh cm⁻² and a power density of 3.14 mW cm⁻², while retaining 86.55% of its initial capacitance after 7000 cycles. These results highlight the potential of rare-earth engineering as a viable strategy for designing advanced spinel ferrite electrodes and pave the way for the development of high-performance, durable, and scalable supercapacitor systems for practical energy storage applications. Full article

The study presents a comprehensive first-principles investigation of the structural, electronic, and magnetic properties of rocksalt scandium nitride (ScN) and its Cr- and Mn-doped derivatives using spin-polarized density-functional theory within the GGA + U (U_Cr = 3.5 eV, U_Mn = 2.7 eV) and HSE06 frameworks. Pristine ScN crystallizes in the cubic Fm$\bar{3}$m structure and exhibits narrow-gap semiconducting behavior, with an indirect band gap of 0.82 eV obtained from hybrid-functional calculations, in excellent agreement with reported theoretical values. Substitutional doping with Cr and Mn introduces localized 3d states near the Fermi level, driving a transition toward spin-polarized metallic or half-metallic behavior accompanied by robust ferromagnetism. Density-of-states and band-structure analyses reveal that magnetism and charge transport in the doped systems are dominated by exchange-split transition-metal 3d states hybridized with N-2p orbitals. Total energy calculations confirm ferromagnetic ground states for both Cr- and Mn-doped ScN, with Mn substitution yielding stronger exchange stabilization and higher magnetic moments. Magnetocrystalline anisotropy energies, evaluated using the force-theorem approach, are found to be negligibly small, indicating weak anisotropy consistent with the moderate spin–orbit coupling strength in ScN-based nitrides. Nevertheless, symmetry breaking around dopant sites gives rise to a finite Dzyaloshinskii–Moriya interaction, leading to weak spin canting and non-collinear magnetic tendencies. The interplay between magnetic exchange coupling, spin–orbit interaction, and local inversion symmetry breaking positions of Cr- and Mn-doped ScN as promising dilute magnetic semiconductors with tunable spin polarization and chiral magnetic interactions, offering a viable platform for nitride-based spintronic and magneto-electronic applications. Full article

CoFe₂O₄ nanoparticles were prepared using a hydrothermal method. All the studied samples were single-phase and were crystallized in a cubic Fd-3m structure. XRD and TEM analyses revealed that the particles had average sizes between 5 and 22 nm. It has been shown that, by using the PVP of different molecular masses, trends of growth and crystallization can be established, obtaining elongated 40 k, cubical 58 k, and rhomboidal 360 kg/mol nanoparticles. While using Ethylene glycol as solvent, the formation of separated “raspberry”-like nanostructures was revealed. The saturation magnetizations are somewhat smaller compared with crystalline CoFe₂O₄ saturation magnetization, but are high enough to have possible biomedical applications. FC and ZFC measurements show that the blocking temperature was around 100 K for the CF5 sample and around 20 K for the FC6 sample. The calculated anisotropy constants were between 7 and 10 kJ/m³, being close to previously reported values. The calculated blocking temperatures are in good agreement with experimental ones. The M_r/Ms ratio at room temperature was lower than 0.5, confirming the predominance of magnetostatic interactions. This paper serves as a good starting point for researchers seeking to synthesize a CoFe₂O₄ system with a desired size and growth tendency at the nanometer scale. Full article

Methanol (MeOH) is widely used in industry and is highly toxic when ingested. In this work, a new micro-conductometric transducer is functionalized with magnetic Fe₃O₄ nanoparticles capped with Artemisia Herba Alba (AHA) extract. The resulting AHA-Fe₃O₄ nanoparticles, crystallized in the cubic spinel phase, exhibit an average crystallite size of 6 nm. These nanoparticles were homogeneously dispersed within an electrodeposited chitosan film on interdigitated electrodes for conductometric measurements. The gas-sensing behavior of the films was evaluated at room temperature toward methanol, ethanol, and acetone vapors. For methanol, the sensor shows response times (t_Res) ranging from 9 to 12 s depending on the analyte concentration, with a detection limit of 600 ppm in the gas phase. The methanol sensor presents a sensitivity 30 times lower for acetone and 3.7 times lower for ethanol. The sensor exhibited stable detection sensitivity over two months, under intermittent storage at 4 °C. Methanol was detected in the headspace of commercial product samples, in good agreement with the producer’s value. Full article

This study investigates the role of silicon (Si) addition in governing the evolution of phase symmetry and microstructural stability in a high-entropy alloy (HEA) synthesized via powder metallurgy. Mechanically alloyed powders were consolidated through conventional sintering, followed by systematic heat treatment to examine symmetry-driven phase transformations. Particular attention is given to the symmetry relationship between body-centered cubic (BCC) and face-centered cubic (FCC) crystal structures and their compositional stabilization mechanisms. X-ray diffraction and microstructural analyses reveal that Si incorporation modifies lattice symmetry, promotes controlled phase transformation, and influences the balance between competing crystallographic phases. The addition of Si contributes to symmetry stabilization by reducing heterogeneity in lattice distortion and suppressing grain coarsening during thermal exposure. These findings demonstrate that compositional tuning can regulate structural symmetry and phase equilibrium in multicomponent alloy systems. The work provides insight into symmetry-controlled material design strategies for enhancing the thermal robustness and structural reliability of HEAs for high-temperature applications. Full article

Far-red phosphors featuring high quantum efficiency and emission bands that strongly overlap with the absorption spectra of plant pigments are crucial for advancing plant cultivation lighting technology. Restricted by the large Stokes shift, far-red phosphors typically exhibit low energy efficiency. Moreover, many far-red phosphors suffer from low quantum efficiency, which has emerged as a critical issue in the research of these materials. To address the issue, conventional strategies—including crystal field engineering, defect engineering, and sensitizer doping—have been widely adopted to enhance their emission intensity. In this work, we propose a novel and effective strategy to improve the emission performance of far-red phosphors: low-melting-point magnesium chloride has been introduced as a flux to regulate the reaction pathway of the composite oxide phosphor Ca₁₄Mg_5.94Li_0.03In_0.03Ga_9.95O₃₅:0.05Mn⁴⁺ (CMLIGO:0.05Mn⁴⁺). The cubic intermediate product with a structure analogous to the target product has been designed to form a compact lattice structure and reduce crystal defects, thereby enhancing the luminescence intensity and quantum efficiency of the phosphor. The Ca₁₄Mg_5.94Li_0.03In_0.03Ga_9.95O₃₅:0.05Mn⁴⁺@3 wt% MgCl₂ (CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂) shows a broad excitation band (250–600 nm) and far-red emission centered at 720 nm (650–800 nm). Under 365 nm excitation, the CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂ exhibits an internal quantum efficiency of 91.4%. Benefiting from its high internal quantum efficiency and the emission band that matches well with the absorption spectrum of phytochrome in the far-red absorbing form (phytochrome P_fr), CMLIGO:0.05Mn⁴⁺@3 wt% MgCl₂ demonstrates promising potential for applications in plant cultivation lighting. This work offers a new direction for synthesizing and modification of composite oxide phosphors. Full article

Cobalt disulfide (CoS₂) features highly active catalytic sites and is regarded as a promising candidate for electrocatalytic hydrogen evolution. In this study, molybdenum-doped cobalt disulfide (CoS₂:Mo) was synthesized via a facile hydrothermal approach. XRD analysis confirms that the obtained samples crystallize in a cubic pyrite structure, with diffraction peaks consistently shifting towards lower angles. SEM characterization reveals that the samples exhibit microrod-like morphologies with an average size of approximately 1 μm. Integrated analyses from XRD, XPS, and EDS mapping demonstrate that Mo is uniformly distributed across the surface and successfully doped into the CoS₂ lattice. Electrochemical measurements indicate that the CoS₂:Mo sample delivers a low overpotential of 122 mV and a Tafel slope of 128 mV dec⁻¹ at a current density of 10 mA cm⁻² in alkaline media, significantly surpassing the performance of pure CoS₂ and MoS₂. Moreover, the CoS₂:Mo exhibits an enhanced double-layer capacitance, with a C_dl value of 2.72 mF cm⁻², superior to that of pure CoS₂ (1.63 mF cm⁻²) and MoS₂ (0.31 mF cm⁻²). Mo doping enhances conductivity and active sites, thereby boosting electrocatalysis. This work presents an effective strategy for the development of cost-efficient and high-performance non-precious metal electrocatalysts. Full article

A novel catalyst, Tm₂FeSbO₇, was synthesized by employing the solid-phase high-temperature sintering method, and, for the first time, it was utilized to create a Z-type heterojunction with BiYO₃. A direct Z-scheme Tm₂FeSbO₇/BiYO₃ heterojunction photocatalyst (TBHP) was successfully produced by employing the ball-milling technique. X-ray diffraction analysis results indicated that Tm₂FeSbO₇ crystallized in a cubic pyrochlorestructure which owned the Fd-3m space group, with a unit cell parameter of 10.1769 Å, whereas BiYO₃ displayed a fluorite structure in the Fm-3m space group, with a unit cell parameter of 5.4222 Å. The Mossbauer spectrum of Tm₂FeSbO₇ showed that Fe³⁺ ions might locate at octahedral sites. The measured bandgap widths for the TBHP, Tm₂FeSbO_7, and BiYO₃ were 2.14 eV, 2.21 eV, and 2.30 eV, respectively. Multiple experimental results demonstrated that the TBHP exhibited a higher valence band ionization potential, a narrower band gap width, and a higher removal efficiency of the sulfamethoxazole (SMX) compared with the Dy₂TmSbO₇/BiHoO₃ heterojunction photocatalyst. Under visible-light irradiation (VISLI) of 115 min, the TBHP showcased exceptional photocatalytic elimination performance; therefore, the elimination rate of the SMX and the total organic carbon (TOC) mineralization rate reached 99.51% and 98.10%, respectively. In contrast to single-component Tm₂FeSbO₇, BiYO_3, or conventional nitrogen-doped titanium dioxide (N-TiO₂) catalyst, the TBHP exhibited removal efficiency enhancement for degrading the SMX by 1.17 times, 1.31 times, or 4.06 times. Simultaneously, the matching mineralization rate for removing the TOC density by employing the TBHP was 1.20 times, 1.34 times, or 4.73 times higher than that by employing Tm₂FeSbO₇, BiYO₃, or conventional N-TiO₂. Above experimental results indicated that the mineralization efficiency for removing TOC density by employing the TBHP was higher than that by employing Tm₂FeSbO₇, BiYO₃, or N-TiO₂. Radicals trapping experiments and the electron paramagnetic resonance spectroscopy results revealed that hydroxyl radicals, superoxide anions, and photoinduced holes were the primary active species during the catalytic elimination course of the SMX by employing the TBHP under VISLI. The results demonstrated that the direct Z-scheme TBHP, which was developed in this study, exhibited the maximal removal efficiency for degrading the SMX in contrast to Tm₂FeSbO₇, BiYO₃, or N-TiO₂. Additionally, the possible elimination routes and elimination mechanisms of the SMX were proposed. Therefore, an important scientific foundation for developing high-performance heterojunction catalysts was established. Full article

The 316L stainless steel (316L SS) and high-entropy alloys (HEAs) are leading candidates for radiation-tolerant structural materials in nuclear environments. Additive manufacturing (AM) enables tailored microstructures through unique thermal histories, producing high dislocation densities and sub-grain features that act as effective sinks for irradiation-induced defects. In this work, a direct quantitative comparison of helium (He) irradiation response, particularly bubble formation, is conducted between 316L SS fabricated using laser powder bed fusion (LPBF) and CoCrFeNi HEAs fabricated by laser-directed energy deposition (LDED), both possessing a face-centered cubic (FCC) crystal structure and comparable principal elemental constituents. The samples were subjected to ex situ He ion irradiation using 200 keV He⁺ ions to a peak damage dose of 10 dpa at 25 °C, 400 °C, and 600 °C at the CINT User Facility at Los Alamos National Laboratory. Post-irradiation microstructural characterization was performed using transmission electron microscopy at the IVEM-Tandem Facility at Argonne National Laboratory. For LPBF 316L SS, the areal bubble density decreases from approximately 5.1 × 10⁴ µm⁻² at 25 °C to 2.1 × 10³ µm⁻² at 600 °C, while the mean bubble diameter increases from 2.9 nm to 37.4 nm. The CoCrFeNi HEA exhibits a similar trend but retains a higher areal bubble density at elevated temperatures, with values of 2.1 × 10⁴ µm⁻² at 400 °C and 3.7 × 10³ µm⁻² at 600 °C, along with a larger mean bubble size at 400 °C compared to 316L SS. These results highlight the combined roles of AM-induced microstructures, alloy compositions, and irradiation temperatures in governing He damage evolution in FCC alloys, providing guidance for the development of radiation-tolerant materials for advanced nuclear energy applications. Full article

This paper systematically studied the structural, mechanical, electronic, and optical characteristics of cubic KZnX₃ (X = F, Cl, Br, and I) perovskites through the density functional theory (DFT) in the Quantum Espresso framework. Structural optimization and stability analyses confirm that all compounds crystallize in the cubic Pm-3m phase and are thermodynamically, mechanically, and dynamically stable. Elastic constants indicate that the materials are anisotropic and ductile in nature. Calculations of Debye temperatures show a systematic decrease of 402 K (KZnF₃) to 158 K (KZnI₃), which is related to the increasing mass of halogen and its impact on the rigidity of the lattice. Electronic structure calculations show that all compounds are indirect bandgap semiconductors, with bandgaps systematically decreasing from 4.24 eV (KZnF₃) to 0.86 eV (KZnI₃) at the HSE06 level, enabling tunable semiconducting characteristics for optoelectronic applications. The analysis of the density of states and charge density indicates that the bonding between Zn and X is mixed ionic and covalent and that the bonding between K and X is mostly ionic. Calculations of optical properties show an increase in polarizability, absorption, refractive index and plasmonic response when heavier halogen is used, highlighting the potential of KZnX₃ perovskites for photovoltaic and optoelectronic devices. Overall, halogen substitution in KZnX₃ provides an effective strategy for tailoring electronic and optical properties. Full article

Gold nanoparticles (AuNPs) were synthesized via two complementary routes, an inorganic surfactant-mediated method and a plant-extract-assisted biosynthesis, to elucidate how synthesis pathways influence nanoparticle physicochemical properties. In the inorganic route, hexadecyltrimethylammonium bromide (CTAB)-stabilized AuNPs were prepared using CTAB dissolution temperatures of 70–90 °C. UV–Vis spectroscopy showed localized surface plasmon resonance (LSPR) bands at 554–556 nm, while dynamic light scattering (DLS) indicated a decrease in hydrodynamic diameter from 110 to 97 nm with increasing dissolution temperature. Zeta potentials above +40 mV indicated strong electrostatic stabilization, and transmission electron microscopy (TEM) revealed ultrasmall Au cores with a narrow size distribution (2.4–3.0 nm) and a face-centered cubic crystal structure. In the biosynthetic route, AuNPs were obtained using aqueous Erythroxylum coca leaf extracts (1–4% w/v). The extracts exhibited a concentration-dependent red shift (~380 to ~420 nm), and biosynthesized AuNPs displayed LSPR bands in the 550–580 nm range. DLS yielded hydrodynamic diameters of 270–390 nm, with pronounced aggregation (3341 nm) at the lowest extract concentration. Under optimized conditions (HC5, n = 5), reproducible plasmonic and colloidal properties were obtained (maximum absorbance, localized surface plasmon resonance wavelength (λ_max) = 569.6 ± 1.7 nm; hydrodynamic diameter (D_H) = 237.6 ± 24.3 nm; absolute zeta potential (|ζ|)= 32.2 ± 2.6 mV). TEM analysis indicated predominantly quasi-spherical particles with a broader, log-normal size distribution, consistent with extract-mediated growth under heterogeneous organic capping environments. Full article

The photocatalytic efficacy of metallic silver nanoparticle/zinc oxide (Ag-NPs/ZnO) composite thin films, COMP-Ag_x, with varying silver concentrations (0 mol% ≤ x ≤ 100 mol%), is investigated for the degradation of methyl orange (MO). The films were spin-coated on a silica glass surface at 600 °C utilizing the molecular precursor method (MPM). The XRD spectra of these composite thin films revealed three significant peaks corresponding to the diffraction planes of (0 0 2), (1 0 0), and (1 0 1), indicative of the formation of ZnO crystallites in diverse orientations, in conjunction with an additional signal for cubic Ag crystals. The magnitude of the ZnO peaks diminishes as the mol% of silver increases. The images from the SEM confirm the integration of Ag-NPs into the ZnO matrix. The UV/Vis absorption spectra exhibit a 410 nm surface plasmon resonance (SPR) peak for composite Ag-NP/ZnO thin films. The absorption spectra of ZnO and Ag-NP/ZnO composite thin films demonstrate the band gap of ZnO to be 3.4 eV, while the band gaps of the composite thin films nearly approximate that of ZnO. The decomposition rates of the MO solution indicate that composite thin films function effectively under visible irradiation compared to pure ZnO. The optical properties indicated that the SPR of Ag-NPs contributed to the visible responsiveness of the composite thin films. The SPR demonstrate significant visible light responsiveness and essential characteristics during photoexcited electron transfer from the Ag-NPs to the ZnO conduction band. Full article

Periodic supercell lattice structures with elements of random polydispersity disorder were created to simulate the effect of randomization on photonic crystals using finite-difference time domain (FDTD) methods. As a key exemplar system, a three-dimensional “inverse opal” structure of a face-centered cubic lattice with air spheres in a silicon dielectric was simulated, with sphere radii within supercells following a randomized Gaussian distribution, with characteristic standard deviation and mean. A corresponding ordered lattice with a bandgap with magnitude 3.5% of the normalized frequency range was used as a direct control, with sphere radius 0.34 times the lattice constant a. For a range of standard deviations, up to 5.9% of the 0.34a mean, a Monte Carlo-style approach was adopted, with photonic band properties analyzed over a large number of repeat simulations to ensure statistical significance. The corresponding Gaussian distribution in the resultant photonic bandgap magnitudes is broadened with increasing polydispersity such that an evolving fraction of simulations no longer exhibits a non-zero bandgap. A characteristic pseudo-transition occurs at a standard deviation of approximately 4.1% of the 0.34a mean, above where the frequency of simulations still returning a finite bandgap rapidly diminishes. Some isolated configurations, with a high degree of uniqueness, can exhibit enhanced bandgap properties (greater than the 3.5% benchmark) despite considerable polydisperse disordering; we envisage that these findings point towards the use of engineered randomness in supercell systems to create desired photonic crystal properties and functionality, such as localization and photonic bandgaps. Full article

Adiabatic shear banding (ASB) is a critical failure mechanism in titanium alloys subjected to high-strain-rate deformation, and its initiation is strongly influenced by the initial crystallographic texture. The dynamic response and ASB sensitivity of extruded and annealed Ti-6Al-4V (TC4) alloy rods were investigated under dynamic compression of cubic specimens along the extrusion direction (ED) and the transverse direction (TD) at a strain rate of 2500 s⁻¹. Split Hopkinson pressure bar (SHPB) tests combined with digital image correlation (DIC) were employed to obtain the stress–strain response and the evolution of strain localization. A dislocation density-based crystal plasticity finite element model (CPFEM), incorporating the measured texture, was established to elucidate the correlation between texture and ASB behavior. The experimental results show that TD specimens exhibit a yield strength approximately 100 MPa higher than that of ED specimens, while both orientations display comparable post-yield hardening behavior. ASB initiation occurs earlier in TD (compressive strain ~0.13) than in ED (~0.23), indicating greater ASB sensitivity in the TD orientation. The CPFEM successfully reproduces the directional stress–strain responses and the observed localization morphology, enabling mechanistic interpretation in terms of slip activity and thermomechanical coupling. The simulations indicate that ED loading is dominated by prismatic ⟨a⟩ slip, resulting in lower flow stress and more dispersed strain localization. In contrast, TD loading is governed primarily by pyramidal ⟨c + a⟩ slip, leading to elevated flow stress and intensified localization. The higher ASB sensitivity in the TD orientation is therefore attributed to texture-controlled slip-mode partitioning, enhanced thermomechanical coupling, and a more concentrated crystallographic orientation distribution that facilitates intergranular slip transfer. These findings provide guidance for tailoring microtexture to mitigate dynamic failure in titanium alloys subjected to high-strain-rate loading. Full article

Using the seeding method, nickel-based single-crystal superalloy DD6 specimens with different growth orientations were prepared in a liquid metal cooling (LMC) directional solidification furnace. Subsequent standard heat treatment was carried out, and the influence of growth orientation on the microstructure of the (001) crystal plane of the alloy after heat treatment was investigated. Results show that with the increase in growth orientation deviation angle from the <001> orientation, the area fraction of residual eutectic content is reduced, the average size and volume of pore and γ′ strengthening phase increase, and the cubicity of the γ′ strengthening phase decreases. The growth orientation does not significantly affect the morphology of residual eutectic content or the morphology of the strengthening phase of the γ′ in the dendrite cores and interdendrite regions. However, the size uniformity of the γ′ strengthening phase in dendrite cores and the width of the γ matrix channels decrease as the growth orientation deviation angle increases. Full article