Search Results (1,595)

To develop high-performance electrode materials for supercapacitors, in this paper, a heterostructured composite material of cerium sulfide and zinc sulfide quantum dots (CeS₂/ZnS QD) was successfully prepared by hydrothermal method. Characterization through scanning electron microscopy (SEM), X-ray diffraction (XRD), and transmission electron microscopy (TEM) showed that ZnS QD nanoparticles were uniformly composited with CeS₂, effectively increasing the active sites surface area and shortening the ion diffusion path. Electrochemical tests show that the specific capacitance of this composite material reaches 2054 F/g at a current density of 1 A/g (specific capacity of about 256 mAh/g), significantly outperforming the specific capacitance of pure CeS₂ 787 F/g at 1 A/g (specific capacity 98 mAh/g). The asymmetric supercapacitor (ASC) assembled with CeS₂/ZnS QD and activated carbon (AC) retained 84% capacitance after 10,000 charge–discharge cycles. Benefited from the synergistic effect between CeS₂ and ZnS QDs, the significantly improved electrochemical performance of the composite material suggests a promising strategy for designing rare-earth and QD-based advanced energy storage materials. Full article

Heavy metal contamination in natural waters and soils poses a significant environmental challenge, necessitating efficient and sustainable water treatment solutions. This study presents the computational design of low-density polyethylene (LDPE) films functionalized with iron oxide (Fe₃O₄) nanoparticles (NPs) for enhanced water purification applications. Composite materials containing 5%, 10%, and 15% were synthesized and characterized in terms of adsorption efficiency, surface morphology, and reusability. Advanced molecular modeling using BIOVIA Pipeline was employed to investigate charge distribution, functional group behaviour, and atomic-scale interactions between polymer chains and metal ions. The computational results revealed structure–property relationships crucial for optimizing adsorption performance and understanding geochemically driven interaction mechanisms. The LDPE/Fe₃O₄ composites demonstrated significant removal efficiency of Cu²⁺ and Ni²⁺ ions, along with favourable mechanical properties and regeneration potential. These findings highlight the synergistic role of mineral–polymer interfaces in water remediation, presenting a scalable approach to designing multifunctional polymeric materials for environmental applications. This study contributes to the growing field of polymer-based adsorbents, reinforcing their value in sustainable water treatment technologies and environmental protection efforts. Full article

The overall efficiency of combining denitrification and volatile organic compound (VOC) removal through selective catalytic reduction (SCR) technology is currently mainly limited by the VOC removal aspect. However, existing studies have not studied the microscopic mechanism of the interaction between VOCs and catalysts, failing to provide a theoretical basis for catalysts. Therefore, this work explored the interaction mechanisms between SCR catalysts doped with different additives and typical VOCs (acetone and toluene) in flue gas based on density functional theory (DFT) calculations. The results showed that the VNi-TiO₂ surface exhibited a high adsorption energy of −0.80 eV for acetone and a high adsorption energy of −1.02 eV for toluene on the VMn-TiO₂ surface. Electronic structure analysis revealed the VMn-TiO₂ and VNi-TiO₂ surfaces exhibited more intense orbital hybridization with acetone and toluene, promoting charge transfer between the two and resulting in stronger interactions. The analysis of temperature on adsorption free energy showed that VMn-TiO₂ and VNi-TiO₂ still maintained high activity at high temperatures. This work contributes to clarifying the interaction mechanism between SCR and VOCs and enhancing the VOC removal efficiency. Full article

Understanding the early-stage physical interactions between polymeric membranes and supersaturated salt solutions is crucial for advancing membrane-assisted crystallization (MCr) processes. In this study, we employed molecular dynamics (MD) simulations to investigate the short-term morphological response of an isotactic polypropylene (PP) membrane in contact with LiF solutions at different concentrations (5.8 M and 8.9 M) and temperatures (300–353 K), across multiple time points (0, 150, and 300 ns). These data were used as input for computational fluid dynamics (CFD) analysis to evaluate structural descriptors of the membrane, including tortuosity, connectivity, void fraction, anisotropy, and deviatoric anisotropy, under varying thermodynamic conditions. The results show subtle but consistent rearrangements of polymer chains upon exposure to the hypersaline environment, with a marked reduction in anisotropy and connectivity, indicating a more compact and isotropic local structure. Surface charge density analyses further suggest a temperature- and concentration-dependent modulation of chain mobility and terminal group orientation at the membrane–solution interface. Despite localized rearrangements, the membrane consistently maintains a net negative surface charge. This electrostatic feature may influence ion–membrane interactions during the crystallization process. While these non-reactive, short-timescale simulations do not capture long-term degradation or fouling mechanisms, they provide mechanistic insight into the initial physical response of PP membranes under MCr-relevant conditions. This study lays a computational foundation for future investigations bridging atomistic modeling and membrane performance in real-world applications. Full article

Despite significant progress in photoelectrochemical (PEC) water splitting, high fabrication costs and limited efficiency of photoanodes hinder practical applications. Bismuth vanadate (BiVO₄), with its low cost, non-toxicity, and suitable band structure, is a promising photoanode material but suffers from poor charge transport, sluggish surface kinetics, and photocorrosion. In this study, porous monoclinic BiVO₄ films are fabricated via a simplified successive ionic layer adsorption and reaction (SILAR) method, followed by borate treatment and PEC deposition of NiFeO_x. The resulting B/BiVO₄/NiFeO_x photoanode exhibits a significantly enhanced photocurrent density of 2.45 mA cm⁻² at 1.23 V vs. RHE—5.3 times higher than pristine BiVO₄. It also achieves an ABPE of 0.77% and a charge transfer efficiency of 79.5%. These results demonstrate that dual surface modification via borate and NiFeO_x is a cost-effective strategy to improve BiVO₄-based PEC water splitting performance. This work provides a promising pathway for the scalable development of efficient and economically viable photoanodes for solar hydrogen production. Full article

AISI 347H stainless steel is widely used in high-temperature environments due to its excellent creep strength and oxidation resistance; however, its corrosion performance remains highly sensitive to thermal oxidation, and the effects of thermal history on its passive film stability are not yet fully understood. This study addresses this knowledge gap by systematically investigating the influence of solution treatment on the corrosion and oxidation resistance of AISI 347H stainless steel. The specimens were subjected to solution heat treatment at 1050 °C, followed by air cooling, and then evaluated through electrochemical testing, high-temperature oxidation experiments at 550 °C, and multiscale surface characterization techniques. The solution treatment refined the austenitic microstructure by dissolving coarse Nb-rich precipitates, as confirmed by SEM and EBSD, and improved passive film integrity. The stabilizing effect of Nb also played a critical role in suppressing sensitization, thereby enhancing resistance to intergranular attack. Electrochemical measurements and EIS analysis revealed a lower corrosion current density and higher charge transfer resistance in the treated samples, indicating enhanced passivation behavior. ToF-SIMS depth profiling and oxide thickness analysis confirmed a slower parabolic oxide growth rate and reduced oxidation rate constant in the solution-treated condition. At 550 °C, oxidation was suppressed by the formation of compact, Cr-rich scales with dual-distributed Nb oxides, effectively limiting diffusion pathways and stabilizing the protective layer. These findings demonstrate that solution treatment is an effective strategy to improve the long-term corrosion and oxidation performance of AISI 347H stainless steel in harsh service environments. Full article

Chromium-molybdenum steels are extensively used in manufacturing large-volume seamless hydrogen storage vessels, but they still suffer from the hydrogen embrittlement problem. In this study, electrochemical cathodic hydrogen charging is utilized to investigate the hydrogen embrittlement of 4130X steels, with emphasis on the influence of charging current density and temperature on hydrogen permeation and hydrogen embrittlement susceptibility. The hydrogen penetration rate and hydrogen diffusion coefficient of 4130X steel both increase with an increase in hydrogen-charging current density and temperature. The results demonstrate that the degree of hydrogen-induced degradation in tensile ductility is more marked with increasing hydrogen-charging current density, while the hydrogen embrittlement index exhibits a peak at a temperature of 308 K, in which brittle patterns like quasi-cleavage surfaces and crack formations occur. These findings are crucial for understanding hydrogen-induced embrittlement and determining test temperatures of hydrogen-related engineering material applications. Full article

This study investigates the development of silver (Ag)-doped zirconia (ZrO₂) coatings deposited on 316LVM stainless steel via the unbalanced magnetron sputtering technique. The oxygen content in the Ar/O₂ gas mixture was systematically varied (12.5%, 25%, 37.5%, and 50%) to assess its influence on the resulting coating properties. In response to the growing demand for biomedical implants with improved durability and biocompatibility, the objective was to develop coatings that enhance both wear and corrosion resistance in physiological environments. The effects of silver incorporation and oxygen concentration on the structural, tribological, and electrochemical behavior of the coatings were systematically analyzed. X-ray diffraction (XRD) was employed to identify crystalline phases, while atomic force microscopy (AFM) was used to characterize surface topography prior to wear testing. Wear resistance was evaluated using a ball-on-plane tribometer under simulated prosthetic motion, applying a 5 N load with a bone pin as the counter body. Corrosion resistance was assessed through electrochemical impedance spectroscopy (EIS) in a physiological solution. Additionally, tribocorrosive performance was investigated by coupling tribological and electrochemical tests in Ringer’s lactate solution, simulating dynamic in vivo contact conditions. The results demonstrate that Ag doping, combined with increased oxygen content in the sputtering atmosphere, significantly improves both wear and corrosion resistance. Notably, the ZrO₂-Ag coating deposited with 50% O₂ exhibited the lowest wear volume (0.086 mm³) and a minimum coefficient of friction (0.0043) under a 5 N load. This same coating also displayed superior electrochemical performance, with the highest charge transfer resistance (38.83 kΩ·cm²) and the lowest corrosion current density (3.32 × 10⁻⁸ A/cm²). These findings confirm the high structural integrity and outstanding tribocorrosive behavior of the coating, highlighting its potential for application in biomedical implant technology. Full article

This study analyzes the recent scientific literature on advanced biocompatible materials for triboelectric nanogenerators (TENGs) in biomedical applications. Focusing on materials like synthetic polymers, carbon-based derivatives, and advanced hybrids, the study interprets findings regarding their triboelectric properties and performance influenced by surface texture and additive manufacturing techniques. Major findings reveal that precise control over surface morphology, enabled by additive manufacturing (AM) is promising for optimizing transferred charge density and maximizing TENG efficiency. The analysis highlights the relevance of these material systems and fabrication strategies for developing self-powered wearable and implantable biomedical devices through enabling biocompatible energy-harvesting components that can operate autonomously without external power, underscoring the need for stringent biocompatibility and performance stability. This work synthesizes current progress, identifying critical material and process design parameters for advancing the field of biocompatible TENGs. Full article

Aluminum nitride (AlN) thin films were deposited on SiO₂ substrates by RF-magnetron sputtering at varying powers (110–140 W) and subsequently subjected to thermal annealing at 450 °C under nitrogen atmosphere. A comprehensive multi-technique investigation—including X-ray reflectometry (XRR), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), optical profilometry, spectroscopic ellipsometry (SE), and electrical measurements—was performed to explore the physical structure, morphology, and optical and electrical properties of the films. The analysis of the film structure by XRR revealed that increasing sputtering power resulted in thicker, denser AlN layers, while thermal treatment promoted densification by reducing density gradients but also induced surface roughening and the formation of island-like morphologies. Optical studies confirmed excellent transparency (>80% transmittance in the near-infrared region) and demonstrated the tunability of the refractive index with sputtering power, critical for optoelectronic applications. The electrical characterization of Au/AlN/Al sandwich structures revealed a transition from Ohmic to trap-controlled space charge limited current (SCLC) behavior under forward bias—a transport mechanism frequently present in a material with very low mobility, such as AlN—while Schottky conduction dominated under reverse bias. The systematic correlation between deposition parameters, thermal treatment, and the resulting physical properties offers valuable pathways to engineer AlN thin films for next-generation optoelectronic and high-frequency device applications. Full article

The escalating consumption of fossil fuels and the rapid development of portable electronics have increased interest in alternative energy solutions that can sustainably self-power wearable devices. Triboelectric nanogenerators (TENGs), which convert mechanical energy into electricity through contact electrification and electrostatic induction, have emerged as a promising technology due to their high voltage output, lightweight design, and simple fabrication. However, the performance of TENGs is often limited by a low surface charge density, inadequate dielectric properties, and poor charge retention of triboelectric materials. To address these challenges, recent research has focused on the use of polymer composites that incorporate various functional fillers. The filler materials play roles in improving dielectric performance and enhancing mechanical durability, thereby boosting triboelectric output even in harsh environments, while also diminishing charge loss. This review comprehensively examines the role of polymer composite design in TENG performance, with particular emphasis on materials categorized by their triboelectric polarity. Tribo-negative polymers, such as PDMS and PVDF, benefit from filler incorporation and phase engineering to enhance surface charge density and charge retention. By contrast, tribo-positive materials like nylon and cellulose have demonstrated notable improvements in mechanical robustness and environmental stability through composite strategies. The interplay between material selection, surface engineering, and filler design is highlighted as a critical path toward developing high-performance, self-powered TENG systems. Finally, this review discusses the current challenges and future opportunities for advancing TENG technology toward practical and scalable applications. Full article

We report the fabrication of CoFeP-Ni(OH)₂/nickel foam (NF) composite electrodes via a two-step strategy involving the hydrothermal synthesis of Ni(OH)₂ on nickel foam followed by the electrochemical deposition of CoFeP. The integration of the Ni(OH)₂ interlayer not only provides a structurally robust interface but also facilitates synergistic redox activity, thereby significantly boosting the pseudocapacitive behavior of the electrode. Comparative analysis with bare CoFeP/NF reveals that the presence of the Ni(OH)₂ layer contributes to enhanced charge transfer efficiency and an increased electroactive surface area. Among the samples prepared under varying deposition cycles, the optimized CoFeP-Ni(OH)₂/NF electrode exhibits a high areal capacitance of 4244 mF cm⁻² at 2 mA cm⁻². Furthermore, an asymmetric supercapacitor device assembled with CoFeP-Ni(OH)₂/NF as the positive electrode and activated carbon as the negative electrode delivers a maximum energy density of 0.19 mWh cm⁻² at a power density of 0.37 mW cm⁻² and excellent cycling stability, retaining 72% of its initial capacitance after 5000 cycles at a high current density of 8 mA cm⁻². Full article

We present a brief overview of the field of charge density waves (CDW) in condensed systems with focus set to the underlying mechanisms behind the CDW ground state. Our intention in this short review is not to count all related facts from the vast volume of literature about this decades-old and still developing field, but rather to pinpoint the most important, mostly theoretical ones, presenting the development of the field. Starting from the “early days”, mainly based on weakly coupled, chain-like quasi-1D systems and Peierls instability, in which the Fermi surface nesting has been the predominant and practically paradigmatic mechanism of the CDW ground state stabilisation, we track the change in paradigms while entering the field of layered quasi-2D systems, with Fermi surface far away from the nesting regime, in which rather strong, essentially momentum-dependent interactions and particular reconstructions of the Fermi surface become essential. Examples of real quasi-1D materials, such as organic and inorganic conductors like Bechgaard salts or transition metal trichalcogenides and bronzes, in which experiment and theory have been extremely successful in providing detailed understanding, are contrasted to layered quasi-2D materials, such as ${\mathrm{high-T}}_c$ superconducting cuprates, intercalated graphite compounds or transition metal dichalcogenides, for which the theory explaining an onset of the CDWs constitutes a frontier of this fast-evolving field, strongly boosted by development of modern ab initio calculation methods. Full article

We investigated a novel natural dye-sensitized solar cell (DSSC) utilizing gadolinium ruthenate pyrochlore oxide Gd₂Ru₂O₇ (GRO) as a photoanode and compared its performance to the TiO₂-Gd₂Ru₂O₇ (TGRO) combined-layer configuration. The films were fabricated using the spin-coating technique, resulting in spherical grains with an estimated mean diameter of 0.2 µm, as observed via scanning electron microscopy (SEM). This innovative photoactive gadolinium ruthenate pyrochlore oxide demonstrated strong absorption in the visible range and excellent dye adhesion after just one hour of exposure to natural dye. X-ray diffraction confirmed the presence of the pyrochlore phase, where Raman spectroscopy identified various vibration modes characteristic of the pyrochlore structure. Incorporating Gd₂Ru₂O₇ as the photoanode significantly enhanced the overall efficiency of the DSSCs. The device configuration FTO/compact-layer/Gd₂Ru₂O₇/Hibiscus-sabdariffa/electrolyte(I⁻/I₃⁻)/Pt achieved a high efficiency of 9.65%, an open-circuit voltage (Voc) of approximately 3.82 V, and a current density of 4.35 mA/cm² for an active surface area of 0.38 cm². A mesoporous TiO₂-based DSSC was fabricated under the same conditions for comparison. Using impedance spectroscopy and cyclic voltammetry measurements, we provided evidence of the mechanism of conductivity and the charge carrier’s contribution or defect contributions in the DSSC cells to explain the obtained Voc value. Through cyclic voltammetry measurements, we highlight the redox activities of hibiscus dye and electrolyte (I⁻/I₃⁻), which confirmed electrochemical processes in addition to a photovoltaic response. The high and unusual obtained Voc value was also attributed to the presence in the photoanode of active dipoles, the layer thickness, dye concentration, and the nature of the electrolyte. Full article

The rapid growth in population and industrialization have significantly increased global energy demand, placing immense pressure on finite and environmentally harmful conventional fossil fuel-based energy sources. In this context, the development of hybrid electrocatalysts presents a crucial solution for energy conversion and storage, addressing environmental challenges while meeting rising energy needs. In this study, the fabrication of a novel bifunctional catalyst, copper nickel aluminum spinel (Cu_0.5Ni_0.5Al₂O₄) supported on graphitic carbon nitride (GCN), using a solid-state synthesis process is reported. Because of its effective interface design and spinel cubic structure, the Cu_0.5Ni_0.5Al₂O₄/GCN nanocomposite, as synthesized, performs exceptionally well in electrochemical energy conversion, such as the oxygen evolution reaction (OER), the hydrogen evolution reaction (HER), and energy storage. In particular, compared to noble metals, Pt/C- and IrO₂-based water-splitting cells require higher voltages (1.70 V), while for the Cu_0.5Ni_0.5Al₂O₄/GCN nanocomposite, a voltage of 1.49 V is sufficient to generate a current density of 10 mA cm⁻² in an alkaline solution. When used as supercapacitor electrode materials, Cu_0.5Ni_0.5Al₂O₄/GCN nanocomposites show a specific capacitance of 1290 F g⁻¹ at a current density of 1 A g⁻¹ and maintain a specific capacitance of 609 F g⁻¹ even at a higher current density of 5 A g⁻¹, suggesting exceptional rate performance and charge storage capacity. The electrode’s exceptional capacitive properties were further confirmed through the determination of the roughness factor (Rf), which represents surface heterogeneity and active area enhancement, with a value of 345.5. These distinctive characteristics render the Cu_0.5Ni_0.5Al₂O₄/GCN composite a compelling alternative to fossil fuels in the ongoing quest for a viable replacement. Undoubtedly, the creation of the Cu_0.5Ni_0.5Al₂O₄/GCN composite represents a significant breakthrough in addressing the energy crisis and environmental concerns. Owing to its unique composition and electrocatalytic characteristics, it is considered a feasible choice in the pursuit of ecologically sustainable alternatives to fossil fuels. Full article