Search Results (6,283)

Due to its distinctive structure and unique physicochemical properties, gallium nitride (GaN) has been considered a prospective candidate for lithium storage materials. However, its inferior conductivity and unsatisfactory cycle performance hinder the further application of GaN as a next-generation anode material for lithium-ion batteries (LIBs). To address this, cobalt (Co)-doped GaN (Co-GaN) nanowires have been designed and synthesized by utilizing the chemical vapor deposition (CVD) strategy. The structural characterizations indicate that the doped Co elements in the GaN nanowires exist as Co²⁺ rather than metallic Co. The Co²⁺ prominently promotes electrical conductivity and ion transfer efficiency in GaN. The cycling capacity of Co-GaN reached up to 495.1 mA h g⁻¹ after 100 cycles. After 500 cycles at 10 A g⁻¹, excellent cycling capacity remained at 276.6 mA h g⁻¹. The intimate contact between Co-GaN nanowires and carbon paper enhances the conductivity of the composite. Density functional theory (DFT) calculations further illustrated that Co substitution changed the electron configuration in the GaN, which led to enhancement of the electron transfer efficiency and a reduction in the ion diffusion barrier on the Co-GaN electrode. This doping design boosts the lithium-ion storage performance of GaN as an advanced material in lithium-ion battery anodes and in other electrochemical applications. Full article

Constructing highly efficient catalysts for the degradation of organic pollutants driven by solar light in aquatic environments is a promising and green strategy. In this study, a novel hexagonal sheet-like Pt/SnS₂ heterojunction photocatalyst is successfully designed and fabricated using a hydrothermal method and photodeposition process for photocatalytic tetracycline (TC) degradation. The optimal Pt/SnS₂ hybrid behaves with excellent photocatalytic performance, with a degradation efficiency of 91.27% after 120 min, a reaction rate constant of 0.0187 min⁻¹, and durability, which can be attributed to (i) the formation of a metal/semiconductor interface field caused by loading Pt nanoparticles (NPs) on the surface of SnS₂, facilitating the separation of photo-induced charge carriers; (ii) the local surface plasmon resonance (LSPR) effect of Pt NPs, extending the light absorption range; and (iii) the sheet-like structure of SnS₂, which can shorten the transmission distance of charge carriers, thereby allowing more electrons (e⁻) and holes (h⁺) to transfer to the surface of the catalyst. This work provides new insights with the utilization of sheet-like structured materials for highly active photocatalytic TC degradation in wastewater treatment and environmental remediation. Full article

With the intensification of the energy crisis and the growing concern over environmental pollution, particularly the discharge of organic dye pollutants in industrial wastewater, photocatalytic degradation of these contaminants using solar energy has emerged as an effective, eco-friendly solution. In this study, we successfully synthesized 2D/2D g-C₃N₄/BiOI p-n heterojunctions via a simple precipitation method and a high-temperature calcination method. The unique 2D structures of g-C₃N₄ nanosheets (NSs) and BiOI NSs, coupled with the synergistic effect between the two materials, significantly enhanced the photocatalytic degradation performance of the heterojunctions under simulated sunlight. The band structures, as determined by Tauc curves, Mott–Schottky curves and XPS-VB analysis, revealed a Z-scheme charge transfer mechanism that efficiently reduced charge carrier recombination and improved electron–hole separation. The photocatalytic activity of 2D/2D g-C₃N₄/BiOI p-n heterojunctions for rhodamine B (Rh B) degradation reached 99.7% efficiency within 60 min, a 2.37-fold and 1.27-fold improvement over pristine BiOI NSs and g-C₃N₄ NSs, respectively. Furthermore, the heterojunction exhibited excellent recyclability stability, with the degradation efficiency decreasing by only 1.2% after five cycles. Radical scavenging experiments confirmed the involvement of superoxide radicals (∙O₂⁻) and hydroxyl radicals (∙OH) as the primary reactive species in the degradation process. This work highlights the potential of 2D/2D g-C₃N₄/BiOI p-n heterojunctions for efficient photocatalytic applications in environmental remediation. Full article

Nano-transfer printing (nTP) has emerged as an effective method for fabricating three-dimensional (3D) nanopatterns on both flat and non-planar substrates. However, most transfer-printed 3D patterns tend to exhibit non-discrete and/or non-porous structures, limiting their application in high-precision nanofabrication. In this study, we introduce a simple and versatile approach to produce highly ordered, porous 3D cross-bar arrays through precise control of the nTP process parameters. By selectively adjusting the polymer solution concentration and spin-coating conditions, we successfully generated discrete, periodic line patterns, which were then stacked at a 90-degree angle to form a porous 3D cross-bar structure. This technique enabled the direct transfer printing of PMMA line patterns with well-defined, square-arrayed holes, without requiring additional deposition of functional materials. This method was applied across diverse substrates, including planar Si wafers, flexible PET, metallic copper foil, and transparent glass, demonstrating its adaptability. These well-defined 3D cross-bar patterns enhance the versatility of nTP and are anticipated to find broad applicability in various nano-to-microscale electronic devices, offering high surface area and structural precision to support enhanced functionality and performance. Full article

An extreme bandgap Al_0.64Ga_0.36N quantum channel HEMT with Al_0.87Ga_0.13N top and back barriers, grown by MOCVD on a bulk AlN substrate, demonstrated a critical breakdown field of 11.37 MV/cm—higher than the 9.8 MV/cm expected for the channel’s Al_0.64Ga_0.36N material. We show that the fraction of this increase is due to the quantization of the 2D electron gas. The polarization field maintains electron quantization in the quantum channel even at low sheet densities, in contrast to conventional HEMT designs. An additional increase in the breakdown field is due to quantum-enabled real space transfer of energetic electrons into high-Al barrier layers in high electric fields. These results show the advantages of the quantum channel design for achieving record-high breakdown voltages and allowing for superior power HEMT devices. Full article

Valence bond theory (VB) was used to determine the extent and driving forces for covalent vs. dative bonding in 10-valence-electron diatomic molecules N₂, CO, NO⁺, CN⁻, P₂, SiS, PS⁺, and SiP⁻. VBSCF calculations were performed at the CCSD(T)/cc-pVDZ optimized geometries. The full triply bonded system included 20 VB structures. A separation of the σ and π space allowed for a subdivision of the full 20 structure set into sets of 8 and 3 for the π and σ systems, respectively. The smaller structure sets allowed for a more focused look at each type of bond. In situ bond energies for σ bonds, individual π bonds, the π system, and triple bonds follow expected trends. Our data shows that N₂ and P₂ have three covalent bonds whereas CO and SiS contain two covalent and one dative bond, and charged species NO⁺, CN⁻, PS⁺, and SiP⁻ are a mixture of N₂ and CO type electronic arrangements, resulting in a nearly equal charge distribution. Dative bonds prefer to be in the π position due to enhanced σ covalency and π resonance. Both σ and π resonance energies depend on a balance of ionic strength, orbital compactness, σ constraints, and bond directionality. Resonance energy is a major contributor to bond strength, making up more than 50% of the π bonds in SiS and PS⁺ (charge-shift bonds), and is greater than charge transfer in dative bonds. Full article

The present paper reports the theoretical results on the thermal performance of proposed Integrated Hybrid Nanofluid Hemi-Spherical Fin Model assuming a combination of Fe₃O₄-Ni/C₆H₁₈OSi₂ hybrid nanofluid. The model leverages the concept of symmetrical geometries and optimized nanoparticle shapes to enhance the heat flux, with a focus on symmetrical design applications in thermal engineering. The simulations are carried out by assuming a silicone oil as a base fluid, due to its exceptional stability in hot and humid conditions, enriched with superparamagnetic Fe₃O₄ and Ni nanoparticles to enhance the heat transfer capabilities, with the aim of contributing to the field of nanotechnology, electronics and thermal engineering, The focus of this work is to optimize the heat dissipation in systems that require high thermal efficiency and stability such as automotive cooling systems, aerospace components and power electronics. In addition, the study explores the influence of key parameters such as heat transfer coefficients and thermal conductivity that play an important role in improving the thermal performance of cooling systems. The overall thermal performance of the model is evaluated based on its heat flux and thermal efficiency. The study also examines the impact of the shape optimized nanoparticles in silicone oil by incorporating shape-factor in its modelling equations and proposes optimization of parameters to enhance the overall thermal performance of the system. Darcy’s flow model is used to analyse the key parameters in the system and study the thermal behaviour of the hybrid nanofluid within the fin by incorporating natural convection, temperature-dependent internal heat generation, and radiation effects. By using the similarity approach, the governing equations were reduced to non-linear ordinary differential equations and numerical solutions were obtained by using four-stage Lobatto-IIIA numerical technique due to its robust stability and convergence properties. This enables a systematic investigation of various influential parameters, including thermal conductivity, emissivity and heat transfer coefficients. Additionally, it stimulates interest among researchers in applying mathematical techniques to complex heat transfer systems, thereby contributing towards the development of highly efficient cooling system. Our findings indicate that there is a significant enhancement in the heat flux as well as improvement in the thermal efficiency due to the mixture of silicone oil and shape optimized nanoparticles, that was visualized through comprehensive graphical analysis. Quantitatively, the proposed model displays a maximum thermal efficiency of 57.5% for lamina shaped nanoparticles at Nc = 0.5, Nr = 0.2, Ng = 0.2 and Θa = 0.4. The maximum enhancement in the heat flux occurs when Nc doubles from 5 to 10 for m2 = 0.2 and Nr = 0.1. Optimal thermal performance is found for Nc, Nr and m2 values in the range 5 to 10, 0.2 to 0.4 and 0.4 to 0.8 respectively. Full article

As the demand for high-frequency and high-power electronic devices has increased, gallium nitride (GaN), particularly in the context of high-electron mobility transistors (HEMTs), has attracted considerable attention. However, the ‘self-heating effect’ of GaN HEMTs represents a significant limitation regarding both performance and reliability. Diamond, renowned for its exceptional thermal conductivity, represents an optimal material for thermal management in HEMTs. This paper proposes a novel method for directly depositing diamond films onto N-polar GaN (NP-GaN) epitaxial layers. This eliminates the complexities of the traditional diamond growth process and the need for temporary substrate steps. Given the relative lag in the development of N-polar material growth technologies, which are marked by surface roughness issues, and the recognition that the thermal boundary resistance (TBR_GaN/diamond) represents a critical factor constraining efficient heat transfer, our study has introduced a series of optimizations to enhance the quality of the diamond nucleation layer while ensuring that the integrity of the GaN buffer layer remains intact. Moreover, chemical mechanical polishing (CMP) technology was employed to effectively reduce the surface roughness of the NP-GaN base, thereby providing a more favorable foundation for diamond growth. The optimization trends observed in the thermal performance test results are encouraging. Integrating diamond films onto highly smooth NP-GaN epitaxial layers demonstrates a reduction in TBR_GaN/diamond compared to that of diamond layers deposited onto NP-GaN with higher surface roughness that had undergone no prior process treatment. Full article

Two charge transfer compounds based on pyridazinium ylids were studied by electronic absorption spectroscopy in binary and ternary solutions, with the purpose of evaluating their descriptors of the first singlet excited state and to estimate the strength of the intermolecular interactions in protic solvents. The molecular descriptors of the excited state were comparatively estimated using the variational method and the Abe model of diluted binary solutions. Analysis of electronic properties using density functional theory was performed for several key solvents, in order to understand the solvatochromic behavior. The DFT calculations revealed that, in the polar and strongly interacting solvents, the carbanion and the terminal group become a stronger electron acceptor. The bathochromic shift of the ICT band was confirmed using DFT calculus. The ability of the two ylids to recognize and discriminate the solvents was analyzed with principal component analysis and with cluster analysis. Although the study was performed in 24 solvents, the results showed that the ylids were most sensitive to alcohols, so they can be a useful tool to identify and classify different types of low-alcoholic solvents. Full article

We report herein that bis(tricyclic) aromatic enes (BAEs) consisting of 6-6-6-membered frameworks such as acridine, xanthene, thioxanthene, and thioxanthene-S,S-dioxide act as a new class of organic luminophores that exhibit blue-to-green fluorescence in the solid state and in polymer film with good to excellent quantum yields. The BAEs were prepared by the palladium-catalyzed double cross-coupling reaction of phenazastannines or 10,10-dimethyl-10H-phenothiastannin with 9-(dibromomethylene)xanthene, 9-(dibromomethylene)thioxanthene, or 9-(dibromomethylene)-9H-thioxanthene-10,10-dioxide. Microcrystals or powder samples of the BAEs exhibited brilliant fluorescence with good to high quantum yields (Φ = 0.45–0.88). Furthermore, more efficient emission of blue-to-green light (Φ = 0.59–0.91) was observed for the BAEs dispersed in the poly(methyl methacrylate) (PMMA) films. Density functional theory (DFT) calculations suggest that the photo-absorption of the (thio)xanthene moiety-containing BAEs proceeds via π–π* transitions, whereas the optical excitation of 10,10-dioxido-9H-thioxanthene moiety-containing BAEs involves an intramolecular charge transfer from the acridine/thioxanthene part to the electron-accepting 10,10-dioxido-9H-thioxanthene moiety. Full article

Poly-CPDTBT, as typical low-band gap copolymers, have potential applications in organic bulk heterojunction solar cells. To have a clear picture of its excited-state processes, the first task is to understand their excited states, in particular, electronic character and relevant optical absorption. Herein, the low-lying singlet excited states of Poly-CPDTBT oligomers were investigated via Algebraic Diagrammatic Construction Second Order (ADC(2)) and time-dependent density functional theory (TDDFT) method with several functionals. Six CPDTBT_N (N = 1–6) oligomers were taken as prototypes to study their excited states in detail. The results provide interesting clues to extrapolate the photophysical properties of such polymers with potential applications in photovoltaic materials. The result provided by ωB97XD functional gives good agreement with the experiment result. The vertical excitation energies of the four lowest excited states decrease almost linearly with increasing polymerization degree (N) for CPDTBT_N (N = 1–6). The transition density analysis indicates that the local excitations (LE) and the short-distance charge transfer (CT) excitations between two adjacent CPDT and BT units are dominant for low-lying excited states for short oligomers. For the long-chain oligomers (trimer to hexamer), the transition density shows a ladder (or zigzag) pattern along the diagonal blocks at the planar geometry. For long oligomers, the whole chain is involved in the transitions, and the CT excitations only exist between two adjacent CPDT and BT units. The present work provides a valuable basis for understanding the excited-state processes of Poly-CPDTBT and other conjugated polymers that conduct solar energy conversions, which has great significance for the development of new solar cells. Full article

In this study, bimetallic NiCo nanoparticles (NPs) were encapsulated within the mesopores of carboxylic acid functionalized mesoporous silica (CMS) through the chemical reduction approach. Both NaBH₄ and NH₃BH₃ were used as reducing agents to reduce the metal ions simultaneously. The resulting composite was used as a catalyst for hydrolysis of ammonia borane (NH₃BH₃, AB) to produce H₂. The bimetallic NiCo NPs supported on carboxylic group functionalized mesoporous silica, referred to as Ni_xCo_100−x@CMS, exhibited significantly higher catalytic activity for AB hydrolysis compared to their monometallic counterparts. The remarkable activity of Ni_xCo_100−x@CMS could be ascribed to the synergistic contributions of Ni and Co, redox reaction during the hydrolysis, and the fine-tuned electronic structure. The catalytic performance of the Ni_xCo_100−x@CMS nanocatalyst was observed to be dependent on the composition of Ni and Co. Among all the compositions investigated, Ni₄₀Co₆₀@CMS demonstrated the highest catalytic activity, with a turn over frequency (TOF) of 18.95 mol_H2min⁻¹mol_catalyst⁻¹ and H₂ production rate of 8.0 L min⁻¹g⁻¹. The activity of Ni₄₀Co₆₀@CMS was approximately three times greater than that of Ni@CMS and about two times that of Co@CMS. The superior activity of Ni₄₀Co₆₀@CMS was attributed to its finely-tuned electronic structure, resulting from the electron transfer of Ni to Co. Furthermore, the nanocatalyst exhibited excellent durability, as the carboxylate group in the support provided a strong metal–support interaction, securely anchoring the NPs within the mesopores, preventing both agglomeration and leakage. Full article

The field of physically interactive electronic games is rapidly evolving, driven by the fact that it combines the benefits of physical activities and the attractiveness of electronic games, as well as advancements in sensor technologies. In this paper, a new game was introduced, which is a special version of Bubble Soccer, which we named Q-eBall. It creates a dynamic and engaging experience by combining simulation and physical interactions. Q-eBall is equipped with a fall detection system, which uses an embedded electronic circuit integrated with an accelerometer, a gyroscopic, and a pressure sensor. An evaluation of the performance of the fall detection system in Q-eBall is presented, exploring its technical details and showing its performance. The system captures the data of players’ movement in real-time and transmits it to the game controller, which can accurately identify when a player falls. The automated fall detection process enables the game to take the required actions, such as transferring possession of the visual ball or applying fouls, without the need for manual intervention. Offline experiments were conducted to assess the performance of four machine learning models, which were K-Nearest Neighbors (KNNs), Support Vector Machine (SVM), Random Forest (RF), and Long Short-Term Memory (LSTM), for falls detection. The results showed that the inclusion of pressure sensor data significantly improved the performance of all models, with the SVM and LSTM models reaching 100% on all metrics (accuracy, precision, recall, and F1-score). To validate the offline results, a real-time experiment was performed using the pre-trained SVM model, which successfully recorded all 150 falls without any false positives or false negatives. These findings prove the reliability and effectiveness of the Q-eBall fall detection system in real time. Full article

The depletion of conventional materials and their adverse environmental impacts have prompted a shift toward sustainable alternatives in composite materials engineering. In pursuit of this objective, this study investigated the mechanical properties of polypropylene matrix composites reinforced with Cordenka, an artificial cellulose fiber, and compared them to those reinforced with ramie, a natural cellulose fiber. Continuous strand composites were developed using the Multi-Pin-assisted Resin Infiltration (M-PaRI) process. The strands were subsequently sectioned into 15 mm lengths and injection-molded into dumbbell and strip specimens for mechanical characterization. The results showed that 20 wt% Cordenka/PP composites exhibited a tensile strength of 68.7 MPa, 2.04 times higher than neat PP and 1.66 times greater than the 20 wt% ramie/PP composites. Impact testing further demonstrated that Cordenka/PP composites absorbed 2 to 2.5 times more impact energy than ramie/PP composites, regardless of the presence of notches. Fiber length analysis indicated that Cordenka fibers maintained their length beyond the critical fiber length, allowing for efficient stress transfer and acting as a more effective reinforcement compared to ramie fibers, which were below this threshold. Consequently, the Cordenka/PP composites exhibited significantly enhanced mechanical performance. Scanning electron microscopy (SEM) analysis revealed fewer fiber pullouts in ramie-reinforced composites, suggesting superior interfacial adhesion to the PP matrix, although it did not translate to higher mechanical properties. These findings underscore the potential of Cordenka as a sustainable alternative to synthetic, non-biodegradable fibers in PP composites, providing improved mechanical properties and promising prospects for advanced composite applications. Full article

In order to utilize the longer wavelength light, the surface sulfurization of MoO₃ was carried out. The photocurrent responses to typical 650, 808, 980, and 1064 nm light sources with Au gap electrodes were investigated. The results showed that the surface S–O exchange of MoO₃ improved the interfacial charge transfer in the range of the broadband light spectrum. The S and O can be exchanged on the surface of MoO₃ nanosheets under the hydrothermal condition, leading to the formation of a surface MoO_x/MoS₂ heterojunction. The interfacial interaction between the MoO₃ nanosheets and MoS₂ easily generated free electrons and holes, and it effectively avoided the recombination of photogenerated carriers. Meanwhile, the surface S-doping of MoO₃ also resulted in the generation of an oxygen vacancy and sulfur vacancy on MoO_3−xS_2−y. The plasmonic characteristics of MoO_3−x contributed to the enhancement of the interfacial charge transfer by photoexcitation. Otherwise, even with zero bias applied, a good photoelectric signal was still obtained with polyimide film substrates and carbon electrodes. This indicates that the formation of the heterojunction generates a strong built-in electric field that drives the photogenerated carrier transport, which can be self-powered. This study provides a simple and low-cost method for the surface functionalization of some metal oxides with a wide bandgap. Full article