Search Results (1,544)

Two-dimensional (2D) materials have emerged as a key platform for next-generation electronics due to their atomic thickness and tunable properties. Iron disulfide (FeS₂), known as pyrite, with a bandgap of ~0.95 eV, is suitable for solar energy applications. However, its performance is limited by defects in bulk crystals. Reducing FeS₂ to a single layer eliminates bulk defects and enables strain engineering of the bandgap. In this study, First-principles density functional theory (DFT) calculations are performed using the CASTEP code and the PBEsol functional to examine the structural, electronic, and optical properties of a distorted 1T′-phase FeS₂ monolayer. Full geometry optimization yields lattice parameters a′ = 17.594 Å, b′ = 3.20231 Å, c′ = 5.28091 Å, and Fe–S bond angles of ~75.8° and ~98.2°, confirming symmetry-breaking distortion. The monolayer is dynamically stable, showing no imaginary modes in the phonon dispersion, and remains structurally intact up to 1000 K in molecular dynamics simulations. The unstrained system has an indirect bandgap of 0.70 eV, with the valence band maximum at the Γ point (dominated by S-p states) and conduction band minimum near the X point (Fe-d states). Under mechanical strain (±4%), the bandgap decreases significantly: from 0.70 eV to 0.44 eV under +4% tensile strain along the y-axis, and to 0.53 eV under −4% compressive strain. Biaxial strain causes weaker modulation, reducing the gap to 0.66 eV (+4%) and 0.62 eV (−4%). Optical absorption exceeds 10⁴ cm⁻¹ for photon energies above the bandgap, with tensile strain causing redshifts and compressive strain inducing blueshifts. These findings demonstrate that 2D FeS₂ is mechanically robust, electronically tunable, and optically active, making it a promising candidate material for flexible strain sensors and photovoltaic devices. This work is intended to motivate and inform future synthesis efforts. Full article

One of the bottlenecks in realizing all-optical computing is the lack of on-chip all-optical logic devices that combine compactness, low loss, and high robustness. Valley photonic crystals (VPCs) have become an important solution for realizing such devices, relying on the excellent transmission characteristics of topological valley states. However, existing structures still face issues such as limited design flexibility. In this paper, a high-performance topological all-optical logic device based on VPCs consisting of circular ring dielectric columns is designed and demonstrated. By introducing the inner radius as an independent design parameter, we construct a new type of VPC and systematically investigate its influence on the photonic band gap. Based on this, we design a beam splitter with high operational bandwidth and low insertion loss (<0.5 dB) and then realize fundamental OR and XOR logic gates, achieving extinction ratios of 18.9 dB for the OR gate and up to 44 dB for the XOR gate at an operating frequency of 193.5 THz. The platform also supports the NOT gate and, through cascading, can implement more logic functions such as the AND gate. Full article

Copper cobalt sulfide (Cu-CoS₂) nanoparticles (NPs) were synthesized via the co-precipitation method in the present study. The synthesized nanoparticles were employed as photocatalysts for the degradation of two hazardous dyes, Eosin B (EB) and Rhodamine B (RB), under sunlight irradiation. The synthesized nanoparticles were characterized using Energy Dispersive X-ray spectroscopy, Scanning Electron Microscopy, UV-Visible spectroscopy, Fourier Transform Infrared spectroscopy, and X-ray Diffraction analysis. The calculated optical band gap of Cu-CoS₂ was 2.06 eV, while the point of zero charge (PZC) was determined to be 7. The XRD results confirmed the crystalline nature of the Cu-CoS₂ nanoparticles with an average crystallite size of 28.23 nm. The catalyst exhibited higher photocatalytic degradation efficiency for EB than for RB in single-dye solutions. In contrast, the presence of EB in the binary dye mixture did not significantly influence the degradation of RB. The effects of various operational parameters, including dye concentration, pH, temperature, and catalyst dosage, were systematically investigated. The photocatalytic degradation efficiency of both dyes decreased with increasing initial dye concentration. Optimum degradation conditions for both single and binary dye systems were obtained at dye concentrations of 40:20 μM, pH 5 for EB, pH 9 for RB, and a temperature of 50 °C. The maximum degradation efficiencies achieved in single-dye solutions were 97% for RB and 92% for EB, whereas degradation efficiencies of 98% for RB and 82% for EB were observed in binary dye systems. Furthermore, first-order and second-order kinetic models were applied to evaluate the photodegradation process, and the experimental data showed better agreement with the second-order kinetic model. Full article

Substoichiometric molybdenum oxide is widely utilized as a hole transport layer (HTL) in polymer solar cells and perovskite solar cells. In this study, the possibility of developing MoOx layers applicable as HTLs with different characteristics by magnetron sputtering from a MoO₃ target and annealing in dry nitrogen or air is explored. The optical transmission and reflection, optical band gap, FTIR and Raman spectra, crystallinity, conductivity, and work function of the films are studied depending on deposition and annealing conditions. The results demonstrate that it is possible to tune the properties of the obtained films with a view toward their application in solar cells. Full article

The linear and third-order nonlinear optical (NLO) properties of a water-soluble perylenediimide derivative, N,N′-di(2-(trimethylammonium iodide) ethylene) perylenediimide (TAIPDI), doped with semiconductor nanoparticles (NPs), were systematically investigated under femtosecond laser excitation. ZnO and TiO₂ NPs were synthesized using a pulsed laser ablation technique. Nanocomposite systems were prepared by incorporating different concentrations of ZnO and TiO₂ NPs into the TAIPDI dye solution. The optical properties were characterized using UV–visible absorption spectroscopy together with open- and closed-aperture Z-scan measurements at 800 nm. Linear absorption measurements revealed concentration-dependent modifications in the optical band gap, indicating electronic interaction between the dye molecules and the semiconductor NPs. Open-aperture Z-scan results demonstrated strong nonlinear absorption (NLA) behavior dominated by two-photon absorption and excited-state absorption processes. Closed-aperture measurements showed a negative nonlinear refractive (NLR) index, corresponding to self-defocusing behavior. Both the NLA coefficient and the NLR index increased with increasing NP concentration, resulting in a significant enhancement of the third-order nonlinear susceptibility of the nanocomposite systems. In addition, optical limiting measurements revealed a pronounced reduction in the limiting threshold with increasing nanoparticle concentration, demonstrating improved laser attenuation capability. These findings indicate that ZnO@TAIPDI and TiO₂@TAIPDI nanocomposites are promising candidates for applications in optical limiting, all-optical switching, and advanced photonic devices. Full article

The optical transition characteristics of fully strained Ge_1−xSn_x films grown on Ge substrate were investigated by high-resolution X-ray diffraction (HRXRD) and spectroscopic ellipsometry (SE). The results showed Sn composition-dependent nonlinear behaviors in interband transition energies. The influence of strain on nonlinear behaviors was identified by the ratio of bowing parameters. Optical transition energies are largely tuned due to the strain-induced band structure. The strain in GeSn alloys may be responsible for the fluctuation of interband transition energies. The effect of full strain appears to result in an opposite trend in the direct and indirect band gap energies. The transition from indirect-to-direct band gap semiconductor in the present work is determined to be x = 0.103 at 300 K. These results contribute to further exploration into band gap engineering for mid-infrared optoelectronic materials. Full article

Green synthesis of KGM-capped CeO₂ nanoparticles was successfully achieved through a simple coprecipitation method using Konjac Glucomannan (KGM) as a biopolymeric capping and stabilizing agent. The reaction conditions were optimized by varying pH (9–11) and temperature (30–70 °C) to evaluate their influence on nanoparticle formation and photocatalytic performance. The synthesized KGM–CeO₂ nanoparticles were comprehensively characterized using FTIR, UV–Vis spectroscopy, XRD, SEM–EDS, TEM, DLS, and ZP analysis to investigate their structural, optical, morphological, and surface properties. The characterization results confirmed the successful formation of porous sponge-like branched CeO₂ nanostructures with irregular morphology. XRD analysis revealed the crystalline nature of the nanoparticles with an average crystallite size of approximately 7.7 nm, while DLS analysis showed an average hydrodynamic particle size of 29.7 nm with a biomodal particle size distribution. The positive zeta potential value (+16.75 mV) confirmed good colloidal stability and reduced agglomeration due to effective capping by KGM. The synthesized nanoparticles also exhibited favorable optical properties with band gap values suitable for photocatalytic applications. The adsorption and photocatalytic degradation performance of the KGM–CeO₂ nanoparticles was investigated against synthetic textile dyes, including Naphthol Blue Black (NBB), Methyl Orange (MO), and a mixed NBB–MO dye system under acidic conditions. Using an adsorbent dosage of 50 mg and dye concentrations of 100 mg/L, the material achieved degradation efficiencies of approximately 99% for NBB, 91% for MO, and 52% for the mixed dye system under UV irradiation for 120 min. Adsorption kinetic studies indicated that the pseudo-second-order model provided the best fit, suggesting that chemisorption is the dominant adsorption mechanism involving multifunctional surface interactions. These findings are particularly relevant for industrial wastewater treatment, since actual textile effluents typically contain complex mixtures of dyes and organic contaminants rather than single dye pollutants. The mixed dye experiments, therefore, provide a more realistic simulation of industrial wastewater conditions. Overall, the synthesized KGM–CeO₂ nanoparticles demonstrate excellent potential as an eco-friendly, cost-effective, and sustainable multifunctional material for adsorption-assisted photocatalytic treatment of dye-contaminated wastewater. Further optimization of operational conditions and catalyst surface properties may enhance its efficiency in multicomponent wastewater systems. Full article

This study presents a comprehensive first-principles investigation of the structural, elastic, electronic, and optical behavior of cubic CsCaF₃ under hydrostatic pressure. The material is confirmed to be a stable Pm-3m fluoride perovskite, with a lattice constant of $4.496 \AA$ and a tolerance factor of $0.902$. At ambient conditions, CsCaF₃ exhibits high intrinsic stiffness ($C_{11}=107.88 \mathrm{G}\mathrm{P}\mathrm{a}$, $B=53.07 \mathrm{G}\mathrm{P}\mathrm{a}$, $G=29.16 \mathrm{G}\mathrm{P}\mathrm{a}$, $E=73.94 \mathrm{G}\mathrm{P}\mathrm{a}$) and maintains mechanical stability while becoming progressively stiffer under compression. The electronic structure reveals a wide indirect band gap of $7.1 \mathrm{e}\mathrm{V}$ that broadens to $8.43 \mathrm{e}\mathrm{V}$ and transforms into a direct gap at elevated pressures. Optical calculations show strong transparency in the visible range, with a low refractive index ($1.58$) and reflectivity ($~5\%$), and a deep-UV absorption edge near $6 \mathrm{e}\mathrm{V}$. Pressure enhances these features, increasing the refractive index to 1.66 and the maximum reflectivity to 45.87% at $24 \mathrm{G}\mathrm{P}\mathrm{a}$. The plasmon resonance also displays pronounced tunability, blue-shifting from $29.56$ to $30.79 \mathrm{e}\mathrm{V}$ with a fourfold rise in intensity. Analysis of the effective-electron number further indicates pressure-driven redistribution of spectral weight within the UV region. Together, these findings demonstrate that CsCaF₃ combines robust structural stability with highly pressure-tunable optical and plasmonic responses, positioning it as a promising candidate for deep-UV optoelectronics, photonic coatings, and pressure-responsive optical technologies. Full article

The present work investigates the combined effect of precursor source and solvent on the structural, morphological, and optical properties of ZnO thin films prepared by the spin-coating technique. Three precursor sources (zinc acetate dihydrate, zinc chloride, and zinc nitrate hexahydrate) and four solvents (ethanol, 2-methoxyethanol, 2-propanol, and 1-methoxy-2-propanol) were systematically explored. X-ray diffraction analysis confirms that all films crystallize in the hexagonal wurtzite structure, with a pronounced (002) preferential orientation for zinc acetate-derived and most of the zinc chloride-derived films. Scanning electron microscopy reveals that both precursor and solvent strongly influence surface morphology. Zinc acetate yields smoother and more compact films, zinc chloride promotes larger hexagonal grains, and zinc nitrate leads to relatively porous structures. Among the solvents, 2-methoxyethanol produces the most uniform and dense films regardless of the precursor. Optical measurements show that transmittance is highly dependent on synthesis conditions, reaching up to 90% in the visible range for zinc acetate-based films, particularly with 2-methoxyethanol. The optical band gap varies between 3.20 and 3.37 eV, reflecting differences in crystallinity and defect density. Overall, these results highlight the key role of precursor–solvent interactions in tailoring ZnO thin film properties for optoelectronic applications. Full article

The uneven electric field in cable accessory insulation can be optimized by field grading composite (FGC). We explored graphitic carbon nitride (g-C₃N₄) as a filler in liquid silicone rubber (LSR) matrices. Oxygen-doped g-C₃N₄ (O-g-C₃N₄) was prepared via calcination of g-C₃N₄ with ascorbic acid. Composites of g-C₃N₄/LSR and O-g-C₃N₄/LSR with different filler contents were fabricated. Microstructural and optical characterizations demonstrate that O-g-C₃N₄ retains the crystal structure of pristine g-C₃N₄ but exhibits thinner layers, modified elemental composition, and a 27.8% reduction in band gap; fillers are uniformly dispersed in the LSR matrix. Experimental measurements reveal that both composites exhibit nonlinear conductivity, while O-g-C₃N₄/LSR shows more pronounced nonlinearity at lower filler contents, accompanied by a faster decline in dielectric breakdown strength. There is little difference in thermal conductivity between g-C₃N₄/LSR and O-g-C₃N₄/LSR composites with the same filler content, which indicates that the change in band gap width has no significant influence on thermal conductivity. The low-cost synthesis and simple bandgap tuning method of g-C₃N₄ provide certain advantages for its use as a nonlinear filler in the preparation of FGC, broadening the application fields of g-C₃N₄, and verifying the possibility of reducing FGC filler usage through bandgap tuning. Full article

This paper reports the controlled synthesis of ZrO₂ nanocrystals via a peroxide-assisted hydrothermal (HT) route at 120 °C, with processing times ranging from 12 to 72 h, and investigates the correlation between structural evolution, defect chemistry, and functional properties. X-ray diffraction (XRD) combined with Rietveld refinement confirmed the formation of a monophasic monoclinic structure with high structural reliability. Microstructural analysis revealed progressive crystallite growth and lattice ordering with increasing reaction time, accompanied by subtle distortions in local coordination environments. Micro-Raman spectroscopy indicated improved medium-range structural organization at longer synthesis durations, while transmission electron microscopy showed quasi-spherical and nanorod-like aggregates formed through oriented attachment, with particle sizes of 6–9 nm. Optical investigations using diffuse reflectance spectroscopy revealed band gap energies of 3.45–3.65 eV, attributed to defect-induced intermediate electronic states associated primarily with oxygen vacancies. A comprehensive photoluminescence (PL) analysis suggests that the observed emission arises from defect-mediated recombination pathways involving localized states within the band gap, modulated by the interplay between structural order and residual defects. The role of hydrogen peroxide is discussed in terms of regulating oxygen vacancy concentration, promoting structural stabilization while preserving functional defect states. The results demonstrate that precise control of HT processing time enables tuning of structural disorder, defect density, optical response, and the enhanced photocatalytic performance of ZrO₂ toward RhB dye degradation, highlighting its potential for optoelectronic applications. Full article

This study explored the influence of high silver (Ag) loading (5–10 mol%) on the photocatalytic performance of zirconium (Zr) co-doped TiO₂ (AZT) with a low Zr content. Although various Ag/Zr ratios have been reported, the effect of high Ag loading combined with low Zr content remains largely unrevealed, particularly in low-temperature synthesis where the role of Zr as a phase inhibitor is less critical. To address this gap, the AZT photocatalyst was fabricated via a solvothermal method combined with organic-free peroxy route. Characterization indicated Zr⁴⁺ incorporated into the TiO₂ lattice, inducing structural distortions and promoting Ti³⁺ defect states. Simultaneously, silver existed as ternary Ag species, which functioned as visible light responsive co-catalysts that enhanced light absorption via Surface Plasmon Resonance (SPR) and facilitated efficient charge separation. Photocatalytic performance was evaluated through Methylene Blue (MB) decolorization under household LED lamp. The optimized 7% Ag loaded catalyst achieved 99.4% removal efficiency within 6 h, with a reaction rate ten times higher than the Zr-doped sample. This superior activity was attributed to a p-n heterojunction and the SPR effect, narrowing the optical band gap to 2.60 eV. Radical scavenger experiments confirmed that the process was primarily driven by photogenerated holes. Full article

To address the limited spatial localization accuracy of partial discharge (PD) in high-voltage cable terminations and the difficulty in accurately determining the trigger time in traditional ultrasonic detection, this paper proposes an electro-acoustic synergistic localization technology based on a high-frequency current transformer (HFCT) and a Sagnac optical fiber interferometer. A high-sensitivity Sagnac acoustic sensor based on a 3D-printed photosensitive resin mandrel was developed. Through structural design and 0–50 kHz amplitude–frequency testing, the sensor exhibits a dominant resonant response at 33.2 kHz. This narrow-band, high-sensitivity characteristic effectively enhances the perception capability for weak PD ultrasonic signals. An electro-acoustic synergistic detection system was constructed, in which the high-frequency PD current signal captured by the HFCT was used as the electrical time reference, and a dual-channel Sagnac sensor array was used to extract the arrival times of ultrasonic waves. In a 12 kV laboratory cable-termination PD experiment, the proposed system identified the representative built-in air-gap PD source with an absolute localization error of 5 mm under the tested laboratory configuration. This value should be interpreted as the localization result for the tested representative defect, rather than as a generally validated accuracy specification of the system. This study provides a proof-of-concept laboratory demonstration of an electro-acoustic localization strategy that combines the fast electrical response of HFCT detection with the electromagnetic-interference immunity and acoustic sensitivity of Sagnac fiber-optic sensing. Full article

Photocatalytic water splitting for hydrogen (H₂) evolution is a critical sustainable energy strategy, and cadmium sulfide (CdS) is a promising visible-light photocatalyst due to its suitable band gap. However, the practical application of pure CdS is severely hindered by rapid charge-carrier recombination and significant photocorrosion. In this work, we constructed a CdS/vanadium carbide (VC) photocatalyst via a simple ultrasonic method. The structural, morphological, optical, and photoelectrochemical properties of the composites were systematically investigated. Under visible light (λ ≥ 420 nm) and with 0.35 M Na₂S-0.25 M Na₂SO₃ as the sacrificial agent, the optimized composite featuring a CdS:VC mass ratio of 10:1 (denoted CV-10) achieved a remarkable hydrogen evolution rate of 3485.6 μmol g⁻¹ h⁻¹. This rate represents a 60-fold enhancement over pure-phase CdS and significantly surpasses that of a conventional Pt/CdS catalyst. Furthermore, the CV-10 composite demonstrated excellent stability, showing no activity decay after 16 h of cycling. Spectroscopic and electrochemical analyses revealed that the metallic VC can function as an efficient cocatalyst, accelerating charge separation and transfer while suppressing electron–hole recombination. This work demonstrates that noble-metal-free VC is a highly effective and low-cost cocatalyst, providing a new pathway for designing efficient and stable CdS-based photocatalysts in solar hydrogen production. Full article

Pure Bi₂O₃ is a favorable photocatalyst for visible-light-driven processes; however, the rapid recombination of photogenerated charge carriers limits its practical performance. In this work, Co-doped Bi₂O₃ nanoparticles, Co_xBi_2−xO₃ (x = 0–0.1), were produced through a sol–gel combustion route to enhance their visible-light photocatalytic activity. As demonstrated by XRD analysis, Co was successfully incorporated into the Bi₂O₃ lattice, along with changes to the crystal structure, crystallite size (up to ~88 nm), and lattice strain. Optical measurements revealed that Co-doping induces a clear absorption edge’s red shift, resulting in a systematic reduction of the optical band gap from 3.9 eV for pure Bi₂O₃ to approximately 3.1 eV for the doped samples. This band gap narrowing enhances visible-light absorption and improves photocatalytic efficiency. Photocatalytic activity was assessed by measuring the degradation of MB under visible-light irradiation. Incorporation of Co consistently enhanced the performance across all doped samples compared to the pristine oxide counterpart. The Co_0.1Bi_1.9O₃ composition demonstrated the best performance, achieving a removal efficiency of 94.5% within 120 min, compared with 73.0% for pure Bi₂O₃. Kinetic analysis indicated pseudo-first-order behavior, with the optimal sample showing a rate constant of 0.0240 min⁻¹—more than twice that of the undoped material (0.0105 min⁻¹). These results validate that Co-doping is an actual approach for engineering the electronic structure of Bi₂O₃, leading to enhanced visible-light absorption, improved charge-carrier separation, and significantly higher photocatalytic efficiency for environmental remediation applications. Full article