Carbon nanotube field effect transistors (CNTFETs) have emerged as a compelling alternative to overcome the limitations of standard Si-based complementary metal–oxide–semiconductor (CMOS) technology. As conventional CMOS devices are approaching their theoretical boundaries in scaling, the semiconductor industry is now focusing on exploring novel materials that can support further improvements in performance. Carbon nanotubes (CNTs) possess a variety of beneficial characteristics, including reduced short-channel effects, high carrier mobility, and high normalized drive currents. The characteristics of CNTFETs make them a highly viable option for substituting Si transistors in next-generation electronic devices. This paper provides a comprehensive overview of the latest advancements in CNTFET technology, emphasizing their potential applications and the progress made in incorporating CNTs into advanced electronic systems. Furthermore, it explores the future outlook for CNTFETs, considering the challenges and prospects that contribute to their adoption in increasingly miniaturized and high-performance transistor technologies.
The main goal of this study is to develop a novel geometric model for blood flow in stenosed small arteries. Blood is represented as a couple stress fluid, and the effects of the luminal surface irregularities are explicitly incorporated. The model describes flow behavior upstream of, within, and downstream of the stenotic region. The problem’s governing equations and the corresponding boundary conditions were set dimensionless via suitable quantities. The problem complexity was simplified, and closed-form analytical solutions were derived by carrying out the assumptions of lubrication approximation and low Reynolds number. This study presents an in-depth analysis to relate geometric parameters to hemodynamic variables (wall shear stress, pressure gradients). The significant role of pertinent parameters was displayed through plots. It has been noted that the small-scale stenotic surface irregularities superimpose high-frequency oscillations to the overall magnitude and shape of the pressure and shear stress profiles. Alignment of out-of-phase surface irregularities creates highly tortuous flow paths, whereas in-phase surface irregularities generate a single broad bell-shaped peak. The results provide mechanistic insight into the hemodynamic effects of luminal irregularities in stenotic lesions of small arteries. They may also contribute to future diagnostic and therapeutic approaches for arteriolosclerosis
We investigate the charging dynamics and energy storage performance of a quantum battery defined by an anisotropic spin-1/2 XY chain, extended by the inclusion of anisotropic three-spin interactions. This system possesses a rich ground-state phase diagram featuring non-trivial gapped topological phases separated by quantum critical lines. Utilizing the fermionization technique, we exactly diagonalize the Hamiltonian and analyze the charging process through a quantum quench from an initial state to a final Hamiltonian configuration. We derive an analytical expression for the upper bound of the stored energy. Significantly, we find that the steady-state stored energy is consistently equal to one-half of the corresponding theoretical maximum throughout the parameter regime investigated. Furthermore, we provide analytical approximations for the charging peak and demonstrate that the underlying topological phase transitions leave distinct and detectable signatures in the charging landscape. These results establish a framework for understanding the interplay between ground-state topology, quantum criticality, and nonequilibrium energy-storage dynamics in quantum spin-chain batteries.
The present simulation work highlights how to apply the hybrid machine learning (HML) approach for the classification of fundamental core (FC) and surface plasmon polariton (SPP) modes of surface plasmon resonance (SPR) driven photonic crystal fibre (PCF) sensor loaded separately with analytes of refractive index (RI) variation from 1.37 to 1.40 in steps 0.01. The simulation results are obtained from COMSOL Multiphysics 6.0 software in addition to Python and MATLAB software. The core region of the sensor is made up of fused silica, which is surrounded by two types of cladding air holes. The plasmonic layer of gold is selected for excitation of surface plasmons, which is an essential requirement for accurate detection of various samples under consideration. The unwanted reflections from the outer surface of the design are protracted by perfectly matched layer (PML). For implementation of ML approach, the simulated data set containing real and imaginary parts of effective refractive indices (neff) of FC and SPP modes corresponding to both x- and y-polarization cases of the optimized structure loaded with sample of RI 1.38, operating between the wavelength range 0.60μm to 1.0μm in steps of 0.005, μm is created. This dataset is further utilized by the proposed HML model consisted of central neural network (CNN), XG- Boost and support vector machine (SVM). The stratified 5-fold cross-validation technique is used for training, validation, and testing purposes necessary for mode classification. The performance of the proposed sensor is comprehensively examined with the help of 6 statistical performance metrics (1) accuracy, (2) precision, (3) recall, (4) specificity, (5) F1-Score(F1-S) and (7) Matthews Correlation Coefficient (MCC). The proposed SPR-driven PCF biosensor loaded with analyte of RI 1.39 exhibits the highest sensitivity of 13500 nm/RIU. The implementation of the HML model yields an accuracy of 99.69 ± 0.62%, F1-score of 99.81 ± 0.37% and MCC value of 98.97 ± 2.06%, indicating its excellent mode classification performance. This idea of implementing the HML model for classification of modes of SPR-driven PCF sensor may be further extended in the design and development of future biosensors for sensing of various biological or chemical samples of RI variation from 1.37 to 1.40.
This study numerically investigates fully developed laminar forced convection through triangular and square cylinder arrays embedded in a porous medium, introducing a novel analysis of submerged cylinders beyond conventional fluid-flow studies, with relevance to heat exchangers and energy storage applications. The modified Brinkman–Forchheimer–extended Darcy model is utilized to describe fluid flow in the porous medium. In the analysis of forced convection within flow channels, it is assumed that the fluid and solid phases are in local thermal equilibrium throughout the porous medium. The cylinder walls were subjected to two classical thermal boundary conditions, including constant wall temperature (CWT) and constant wall heat flux (CWHF). Taking advantage of the flow field’s symmetry, the simulation was performed on a reduced computational domain limited to the symmetry planes and the cylinder walls to minimize computational effort. The finite element approach was applied to discretize the governing equations subject to the given boundary conditions, and the solution was obtained using COMSOL Multiphysics software. Extensive comparisons with prior solutions verified the correctness of the solution method and yielded excellent consistency. The results are expressed in terms of how parameters such as porosity, ratio of the thermal conductivity of solid particles to that of the fluid (Kr), and the longitudinal pitch-to-radius ratio of the cylinders (Spr) influence the average Nusselt number. For every scenario analyzed, the triangular arrangement of cylinders produced a higher average Nusselt number than the square configuration. For instance, at ε = 0.6, Kr=10, and Spr=1.6, the triangular arrangement yields an average Nusselt number approximately 5.7 units greater than that of the square arrangement under the CWHF condition, while the corresponding increase under the CWT condition is only about 1.8. For ε = 0.5, Kr=75, and Spr=1.6, the corresponding values are 14.6 and 13.0 for the triangular and square arrangements, respectively. The results further indicate that, under the conditions investigated, the CWHF boundary condition consistently yields a higher average Nusselt number than the CWT boundary condition. With the CWHF boundary condition imposed, the mean Nu is roughly twice that found under the CWT scenario. The Nusselt number is found to decrease with increases in porosity and longitudinal pitch, whereas it increases with increasing Kr.
In this work, a rigorous comparative first-principles investigation within the framework of density functional theory (DFT) is deployed to systematically quantify the phase-dependent electronic structure, directional optical tensors, and high-energy electron energy-loss profiles of Zirconium Dioxide (ZrO2) polymorphs. Calculations were performed using the generalized gradient approximation parameterized by Perdew-Burke-Ernzerhof (GGA-PBE) as implemented in the CASTEP code, with a scissors operator applied to match experimental electronic baselines. Our quantitative data reveals that the isotropic cubic phase ZrO2 possesses a direct band gap of 4.83 eV, whereas the symmetry-breaking distortion in the 7-fold coordinated monoclinic phase induces a transition to an indirect band gap of 5.17 eV. Partial density of states (PDOS) analysis indicates that the valence band maximum is dominated by localized O-2p states, while the conduction band minimum is governed by Zr-4d orbitals, confirming that the fundamental interband matrix elements are driven by p to d transitions. This structural symmetry reduction severely polarizes the macroscopic optical responses along the [100], [010], and [001] crystallographic directions. At the static limit (ῳ = 0 eV), the calculated diagonal dielectric tensor components for monoclinic phase diverge significantly (εxx (0) = 4.63, εyy (0) = 4.61, and εzz (0) = 4.32), yielding a prominent static optical birefringence index of Δε = 0.31, contrasting with the degenerate isotropic response (ε = 4.91) of the cubic lattice. In the high-energy ultraviolet (UV) and deep-UV regimes, the frequency-dependent absorption coefficients, refractive indices, and optical conductivities reveal highly directional thresholds residing strictly within the solar-blind window (>4.0 eV). Furthermore, the electron energy loss function (EELS) resolves an intense, collective semi-core plasmon resonance localized at 37–38 eV, driven by deep transitions from the bound Zr-4p states into the conduction band continuum. These precise numerical benchmarks establish a definitive structure–property relationship governed by crystal field splitting and quantitatively validate the deployment of ZrO2 films in polarization-sensitive optical components, solar-blind photodetectors, and high-energy radiation shielding barrier coatings.
In this paper, a non-volatile plasmonic memory based on a metal–insulator-metal (MIM) waveguide and phase-change material is proposed to enhance storage density and integration compatibility in photonic integrated circuits (PICs). Silver is utilized as the metal, with its dielectric function characterized by the Drude model, while air and Ge2Sb2Te5(GST) serve as the dielectric media. Two-dimensional Finite-Difference Time-Domain (2D-FDTD) simulations demonstrate an operating resonance at λ = 1814 nm, exhibiting an optical contrast of 87 % between phase states, an extinction ratio of ER = 44.04 dB, and an ultra-low insertion loss of 0.60 dB for logic state ’1′ (45.60 dB for logic ’0′). The cell features all-optical external programmability, non-destructive readout, and ultrafast temporal dynamics in the femtosecond regime (τr = 62 fs). By mapping GST phase transitions to quantized optical transmission levels, the proposed architecture functions effectively as a photonic weighting element in optical neural networks to alleviate the von Neumann bottleneck. Generalizing the unit cell yields scalable multi-bit configurations up to 8 bits (256 states), achieving an ultra-high storage density of 4.56 bits/μm2 within a compact footprint of 0.219 μm2. Furthermore, a 5-stage BEOL CMOS-compatible fabrication workflow (≤200 °C) is presented, and structural sensitivity analysis confirms high fabrication tolerance (ΔER} < 1 dB within a ± 5 nm window).
This modern research letter has been aimed to study an exploratory advancement on N-F (Neutron-Flux) induced UV-C Gain (Ultraviolet-C Gain) of Al0.30Ga0.70N/GaN hetero-nanostructure for emerging sterilization applications under semiconductor quantum technology. In this work, on the foundation layer of GaN substrate, heterostructure of 5 quantum layers has been fabricated by simulation method. Using a gain equation based on k.p effective mass quantum theory, the band gap energy and other gain characteristics, such as the UV-C gain coefficient without influence, the influence-induced UV-C gain coefficient, and the peak UV-C gain coefficient, have been calculated. In the simulation, when neutron flux is applied to the hetero-nanostructure, the height of the conduction barrier increases, so electron leakage tends to diminish; hence, the energy separation of the quasi-Fermi levels increases, so UV-C gain increases. The maximum UV-C gain ∼9000/cm has been obtained at 254 nm for neutron flux 10.8 × 1011 /cm2s. 254 nm UV-C light has 99.9% sterilizing capacity to destroy the DNA structure of bacteria and viruses without using any chemicals. So, this Al0.30Ga0.70N/GaN quantum heterostructure provides a substantial role in the formation of high quality 254 nm UV-C emitting devices under semiconductor quantum nanotechnology.
In this work, we investigated the structural and optical characteristics of Mg-doped Ba1-xMgxTiO3 (x = 0.00, 0.005, 0.01, 0.02, 0.04, and 0.06) powders, synthesized via the sol–gel method. XRD analysis demonstrated that the Ba1-xMgxTiO3 samples crystallize in a pure perovskite-type structure, indicating that the Mg2+ ions are successfully incorporated into the BaTiO3 (BT) lattice at low doping levels (x ≤ 0.06). Magnesium incorporation reduces tetragonality with increasing dopant concentration, indicating a phase transition toward a pseudo-cubic structure. This observation was further confirmed by Rietveld refinement. The crystallite size was estimated using the Debye-Scherrer equation. UV–visible spectroscopy revealed a gradual decrease in the optical band gap energy (Eg) from 3.228 to 3.080 eV, accompanied by an increase in the Urbach energy (EU) from 0.115 eV to 0.153 eV, with increasing Mg concentration from 0 to 0.06. Additionally, fundamental optical parameters, including the linear refractive index (n), dielectric constants (ε1 and ε2), optical conductivity (σopt), and the static index (n0), were determined and correlated with the varying Mg content (x). An analysis of the linear and non-linear (NLO) optical properties revealed that the NLO refractive index (n2) and third-order NLO susceptibility (χ(3)), estimated from empirical relations, increase with increasing Mg content. These results indicate that Ba1-xMgxTiO3 ceramics are promising candidates for advanced optoelectronic applications.
Materials corrosion is a major problem that has a significant financial impact in many different industries. In this study, the use of expired Telithromycin (ETELI) as a corrosion inhibitor offers a cost-effective substitute for the hazardous chemicals currently in use by preventing mild steel from corroding in acidic environments. This work examines how well expired telithromycin (ETELI) drug inhibits corrosion of mild steel in sulfuric acid medium using an integrated experimental, machine learning and quantum chemical techniques. Inhibitory efficiency of the (ETELI) drug was tested using gravimetric, Electrochemical impedance spectroscopy (EIS) and Potentiodynamic polarization (PDP) analysis at various concentration, temperatures, and exposure times. To predict the corrosion inhibition efficiency, two distinct machine learning (ML) models were created: Artificial Neural Network (ANN) and Adaptive Neurofuzzy Inference System (ANFIS). Statistical tests such as Mean Absolute Percentage Error (MAPE), Mean Absolute Deviation (MAD), Root Mean Square Error (RMSE), and coefficient of determination (R2) were used to assess the models’ validity and accuracy. Both the ANFIS and ANN produced the best prediction accuracy, with an average validation-based on Mean Absolute Percentage Error (MAPE), Mean Absolute Deviation (MAD), Root Mean Square Error (RMSE), and coefficient of determination (R2) values of 0.9021, 0.4264, 0.3682, 0.9066 at training level and at testing 0.9682, 0.4812, 0.4021, 0.9284 for ANFIS. While the ANN recorded prediction accuracy values of 1.6341, 0.3224, 0.2948, 0.8884 at training level and 1.2412, 0.3865, 0.3729, 0.9384 at testing level respectively. The experimental findings indicate that gravimetric study showed that the ETELI drug effectively inhibited corrosion of mild steel surfaces, with a Percentage inhibition efficiency (% IE) of 90.2, ETELI was shown to be a mixed-type inhibitor with an 83.4 % inhibition efficiency based on polarization analysis. Impedance research confirmed the existence of ETELI adsorption on the mild steel surface with Percentage inhibition efficiency (%IE) of 84.5. The viability of inhibitor surface interactions is confirmed by calculated Gibbs free energy values which revealed physical adsorption mechanism. Inhibitors with larger HOMO energies, lower LUMO-HOMO energy gaps, greater softness, and more favorable chemical potentials demonstrated superior inhibitory efficacy, according to Quantum chemical Studies (QCS), which shed light on molecular reactivity. The inhibitory mechanism was further clarified by molecular dynamics simulations (MDS), which showed a favorable adsorption energy of −102.7 kcal/mol, indicating a spontaneous and stable contact between ETELI molecules and the mild steel surface. The relationship between quantum chemical descriptors and experimental data indicates that chemical reactivity and electron-donating capacity are important variables controlling adsorption strength. The results of the experimental, machine learning, and QCS show that ETELI is a potential corrosion inhibitor for mild steel, offering important insights for the development of structural applications to petroleum industry.
Reduced graphene oxide (rGO) is a promising material for optical biosensors due to its tunable electronic and optical properties. In this study, rGO films were synthesized through the chemical reduction of graphene oxide (GO) using ascorbic acid under various sonication powers (30, 45, 60, and 75 W), followed by fabrication using a transfer-etching method. Particle size analysis showed that 45 W produced the smallest and most uniform particles, yielding better dispersion stability and thinner films, whereas higher sonication powers caused partial re-agglomeration. Nevertheless, SEM-EDX analysis revealed that carbon content increased with higher sonication power, reaching 79.31% at 75 W, accompanied by an increasingly porous morphology. Although Raman spectroscopy showed an increased ID/IG ratio, indicating increased structural defects, FTIR spectra confirmed successful GO reduction, while four-probe measurements revealed the lowest electrical resistance at 75 W, suggesting improved restoration of the π-conjugated carbon network. Furthermore, surface plasmon resonance (SPR) simulations at 633 nm (He–Ne laser) showed that film thickness critically affects plasmon coupling. The fabricated rGO films (∼200 nm) were too thick for efficient SPR excitation, whereas thinner simulated films (<50 nm) generated sharper responses. Notably, the simulated 75 W sample exhibited the strongest plasmon coupling, characterized by a sharper dip and a distinct rightward shift in the SPR curve. These results demonstrate an environmentally friendly approach for rGO production and highlight the importance of controlling sonication power to tailor its structural and optical properties, with further insights indicating that managing film thickness is also crucial for maximizing SPR sensing performance.
This research studies the potential application of MgAl2O4 oxide as a C3H8 sensor. The material was synthesized using a microwave-assisted wet chemistry method, with heat treatment at 800 °C. The crystalline phase of the oxide was analyzed using X-ray diffraction (XRD). Ultraviolet–visible (UV–Vis) spectroscopy determined a band gap of 3.65 eV. The XPS (X-ray photoelectron spectroscopy) analysis of MgAl2O4 calcined at 800 °C confirmed the presence of Mg2+ and Al3+ the characteristic peaks of Mg 1 s (1304.43 eV) and Al 2p (75.29 eV), demonstrating the successful formation of the spinel structure. The morphology of the MgAl2O4 oxide was studied using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) in imaging mode. These techniques yielded images revealing a porous surface with a homogeneous distribution of irregular particles with an average size of ∼11.68 nm. Pellets were manufactured from the MgAl2O4 oxide for detection tests in static atmospheres of C3H8 gas. In this case, different concentrations of C3H8 (0, 10, 50, 100, 200, 300, 400, and 500 ppm) were used, showing an excellent response starting at 50 °C. For dynamic response measurements in C3H8 atmospheres, thick films of MgAl2O4 were prepared, and concentrations of 400, 800, 1200, and 1600 ppm were used at 400 and 450 °C. The tests demonstrated that oxide has an excellent capacity to detect different concentrations of the test gas, as well as exhibiting a high percentage of response, good thermal stability of the electrical response (resistance changes), and good reversibility of the detection process in C3H8. The results obtained show that MgAl2O4 oxide could be a potential candidate for the development of a C3H8 atmosphere sensor with high efficiency and rapid response.
Efficient manipulation of electromagnetic wave polarization in the terahertz (THz) regime remains challenging because many existing polarization converters rely on complex geometries, multilayer configurations, or provide limited physical insight into their operating mechanisms. Although numerous terahertz metasurface polarization converters have been reported, achieving high polarization conversion efficiency using structurally simple and fabrication-friendly architectures while maintaining a clear physical understanding of the conversion mechanism remains challenging. To address this challenge, a compact reflective terahertz polarization converter composed of two orthogonally oriented silver nanorods separated by a quartz substrate is theoretically investigated using full-wave electromagnetic simulations. Full-wave electromagnetic simulations demonstrate a maximum cross-polarized reflection coefficient of approximately 97% at 1.87 THz, while both the co-polarized reflected component and all transmitted components remain strongly suppressed. The polarization conversion mechanism is interpreted in terms of the excitation of orthogonal plasmonic currents within the nanorods, which produce destructive interference of the co-polarized reflected field and a corresponding enhancement of the cross-polarized component. A systematic parametric investigation is performed to quantify the influence of the rod length, width, thickness, and substrate thickness on the resonance characteristics and polarization conversion efficiency, providing practical design guidelines for performance optimization. Compared with representative THz reflective polarization converters reported in the literature, the proposed metasurface achieves comparable or higher conversion efficiency while preserving a remarkably simple and fabrication-friendly architecture. These characteristics make the proposed design a promising candidate for polarization control in terahertz imaging, wireless communication, and spectroscopic systems.
Vanadium dioxide (VO2) exhibits a current-driven insulator–metal transition that gives rise to pronounced hysteresis and self-sustained relaxation oscillations under appropriate biasing, making it an attractive candidate for unconventional computing architectures. In this work, we demonstrate that a single triangular-channel VO2 device can be reconfigured to perform multiple Boolean logic operations by encoding logic states in the presence or absence of oscillations, without modifying the device structure or adding auxiliary logic circuitry.Using a dual-input current scheme, we first experimentally identify a well-defined oscillation window between 50 µA and 300 µA, within which the VO2 channel operates in its negative differential resistance regime. Logic “1” is defined by sustained oscillations at the output, while logic “0” corresponds to a quiescent (non-oscillatory) state when the device is either insulating or fully metallic. By appropriately selecting bias conditions for the two inputs, we experimentally realize AND, OR, XOR, and NOT logic functions in a single VO2 element. Additionally, these logic functions are validated through LTspice simulations using the same experimentally extracted threshold values. The triangular geometry of the VO2 channel plays a key role in stabilizing the oscillation window by enabling spatially distributed Joule heating and gradual phase evolution, thereby improving operational robustness. Our results highlight a compact and bias-programmable approach to logic implementation in phase-transition materials, offering a pathway toward minimal-device-count logic elements and hybrid Boolean-oscillatory computing architectures based on VO2.
We investigate how the Fraunhofer diffraction pattern produced by a slit is modified under a Lorentz transformation. Starting from the diffraction of a monochromatic wave in the slit rest frame, we analyze the angular redistribution of the diffracted intensity in a second inertial frame moving uniformly perpendicular to the slit axis. Two configurations are considered: normal incidence and oblique incidence of the incoming wave.In the laboratory frame, the diffraction pattern exhibits the usual symmetric distribution of minima around the central maximum when expressed in the appropriate angular variable. After transformation to the moving frame, this symmetry is generally lost: the diffraction profile becomes asymmetric with respect to the direction of maximum intensity. We show that this effect arises from relativistic aberration of light and reflects a nonlinear reparametrization of the angular coordinates rather than a modification of the diffraction process itself. In particular, the positions of the diffraction extrema remain well defined under Lorentz transformation, even though their angular spacing becomes distorted in the boosted frame.We further show that the sinc-type functional form of the Fraunhofer diffraction pattern is preserved under the Lorentz transformation. The observed asymmetry therefore originates entirely from the relativistic mapping between observation angle and transverse wave-vector component. These results provide a simple illustration of how a familiar wave-optics phenomenon is reshaped by special relativity, and they may be relevant to numerical or experimental studies of radiation patterns in moving optical or plasma systems.
The electrical and transient characteristics of Al0.17Ga0.83N/GaN high-electron-mobility transistors (HEMTs) on Si were investigated after proton irradiation. Comprehensive electrical characterization, including the transmission line method (TLM), DC I-V measurements, and pulsed transient gate-lag and drain-lag analyses, was conducted to identify the dominant degradation mechanisms. Proton irradiation-induced damage was primarily localized near the metal–semiconductor (MS) contact region rather than within the channel. Moreover, degradation under gate-lag conditions was significantly more pronounced than that under drain-lag conditions, indicating a dominant contribution from surface traps located in the AlGaN barrier layer compared to bulk traps formed in the GaN buffer layer after irradiation. These findings demonstrate that surface traps play a key role in the transient reliability degradation of AlGaN/GaN HEMTs under radiation environments and provide valuable insights for the design of radiation-hardened GaN-based devices.
In this research, a versatile drug nanocarrier was developed with dual targeting (magnetic and folate receptor) using pH-sensitive Fe3O4/Au core–shell nanomaterials to transport the anticancer drug doxorubicin (Dox). The process involved synthesizing Fe3O4 superparamagnetic nanoparticles (MNPs) as the core, followed by gold coating. A folic acid-functionalized solution was then conjugated to the gold shell via DCC/NHS coupling chemistry and then Dox was loaded onto the nanocarrier. The X-ray diffraction (XRD) analysis showed that the Fe3O4 nanoparticles formed an inverted cubic spinel structure. HRTEM imaging revealed an average particle size of 10 nm, consistent with DLS measurements of 13 nm in solution. VSM measurements at 298 K demonstrated superparamagnetic behavior for both Fe3O4 and Fe3O4/Au nanoparticles, with saturation magnetization values of 59.46 and 46.67 emu/g, respectively; the reduction of ∼ 21.5% upon Au shell formation is attributed to the magnetic dilution effect of the diamagnetic Au coating, while the retained Ms of 46.67 emu/g remains sufficient for magnetically guided drug delivery. We assessed the compatibility of the lung cancer cell line A549 and the bladder cancer cell line 5637 using an MTT toxicology test. Drug release experiments showed that at pH 5.4, which is typical for cancer cells, 55.95% of Dox was released from the nanocarrier in the first 4 h, increasing to 68.63% over 93 h. In contrast, at pH 7.4, typical for healthy cells, 41.24% was released in the first 4 h, reaching 47.18% after 93 h. Analysis of drug release kinetics indicated that the release of Dox from this nanocarrier follows a first-order equation. These findings suggest that Dox-loaded Fe3O4/Au–FA core–shell nanoparticles hold promise as an effective drug carrier for targeting cancer cells, demonstrating notable cytotoxic activity through selective folate receptor-mediated uptake and pH-responsive sustained release.
Two-dimensional (2D) Dirac materials have attracted much attention due to their distinctive mechanical, electronic and optical properties. The advancement in the synthesis of sumanenes provide a wealth of building blocks for designing multifunctional 2D materials. However, these materials are rarely reported. In this study, we propose a stable 2D material composed of nitrogen-containing sumanenes (N-sumanene). Its puckered configuration and unique π-conjugation facilitate the integration of all-angle auxeticity, nodal loop Dirac semimetallicity, and robust plasmons. The band structures feature both Dirac nodal loop and flat bands, demonstrating remarkable resilience against the spin-orbit coupling (SOC). The Fermi level of the 2D N-sumanene intersects with the Dirac nodal loop. Notably, the plasmon frequencies in this 2D N-sumanene span the terahertz to infrared range and exhibit minimal independence on variations in the Fermi level. These findings offer a promising platform for exploring the multifunctional properties of 2D Dirac nodal loop semimetals.
This study investigates the interplay between doping concentration and thermal treatment in determining the optical activation and chemical environment of erbium ions in sol–gel derived silica thin films. Erbium-doped silica samples with 3% and 6% Er3⁺ were synthesized and annealed at 500 °C and 900 °C to evaluate their photoluminescence (PL) response and chemical structure. Photoluminescence spectroscopy revealed strong emission at ∼ 1533 nm exclusively in samples annealed at 900 °C, indicating thermally activated optical centers. Complementary X-ray photoelectron spectroscopy (XPS) provided mechanistic insight, showing a transition from hydroxyl-rich, weakly coordinated Er3⁺ environments at 500 °C to well-integrated Er-O-Si and Er2Si2O7-like motifs at 900 °C. This shift was evidenced by increased Er 4d peak areas, sharpening of O 1 s and Si 2p core-level spectra, and reduced presence of non-radiative quenching centers. The results underscore the critical role of thermal processing in facilitating network densification, Er dispersion, and defect passivation. Together, the PL-XPS correlation provides a framework for tailoring rare-earth-doped silica films for integrated photonic applications, enabling efficient light emission at telecom wavelengths.
Substitutional alloys pose a fundamental challenge for first principles modeling because the number of distinct chemical configurations grows combinatorially with system size. Here, we show that for the substitutional transition metal alloys considered here on rigid lattices, the configurational energetics exhibit a largely low dimensional and approximately quasi additive character. Using 1,337 density functional theory calculations for a Fe/Mn system, physics guided data visualization reveals that energy variations are governed by site dependent chemical substitutions and global magnetic effects, while structural degrees of freedom are effectively frozen. Motivated by these observations, we construct a compact, site resolved energetic model that explicitly reflects this underlying physical structure. A simple linear formulation achieves high predictive accuracy (RMSE = 1.03 × 10−3 Ry, R2 = 0.959) while remaining fully interpretable in terms of individual substitutional sites and magnetic contributions. Because the representation depends only on lattice topology and site identity, it can be transferred, in a zero-shot manner, to a chemically distinct but configurationally isomorphic Co/Ni system. In a strict zero-shot setting, the model preserves relative energetic ordering across chemical systems (Spearman ρ ≈ 0.832) despite large differences in absolute energy scales. Quantitative accuracy is substantially improved through few-shot calibration using a small number of additional reference calculations. These results demonstrate that visualization driven physical insight enables compact, interpretable, and transferable modeling strategy for substitutional alloys of the type studied here, offering a data efficient alternative to black box approaches.
