Search Results (627)

The photoreforming of plastics into fuel and small organic molecules at ambient temperature presents a sustainable alternative to landfills and incineration. However, most existing photocatalysts depend on noble or toxic metals, limiting their environmental compatibility. Here, we present a non-toxic, eco-friendly Cu-doped ZnS photocatalyst synthesized via a simple one-pot wet chemical method for efficient plastic waste conversion in an alkaline solution. This earth-abundant catalyst exhibits broad visible light absorption and exceptional charge transfer efficiency, enabling high photocatalytic activity. By optimizing Cu doping levels, we achieve a promising H₂ generation rate of 201.5 μmol g⁻¹ h⁻¹. We elucidate the photoreforming mechanism, paving the way for scalable and sustainable plastic upcycling. Full article

The electrical properties of contacts to p-type nitride semiconductor devices, based on gallium nitride, were simulated by ab initio and drift-diffusion calculations. The electrical properties of the contact are shown to be dominated by the electron-transfer process from the metal to GaN, which is related to the Fermi-level difference, as determined by both ab initio and model calculations. The results indicate a high potential barrier for holes, leading to the non-Ohmic character of the contact. The electrical nature of the Ni–Au contact formed by annealing in an oxygen atmosphere was elucidated. The influence of doping on the potential profile of p-type GaN was calculated using the drift-diffusion model. The energy-barrier height and width for hole transport were determined. Based on these results, a new type of contact is proposed. The contact is created by employing multiple-layer implantation of deep acceptors. The implementation of such a design promises to attain superior characteristics (resistance) compared with other contacts used in bipolar nitride semiconductor devices. The development of such contacts will remove one of the main obstacles in the development of highly efficient nitride optoelectronic devices, both LEDs and LDs: energy loss and excessive heat production close to the multiple-quantum-well system. Full article

The structural features of Sb–doped (Ti,Zr)NiSn and (Ti,Zr,Hf)NiSn half-Heusler (HH) thermoelectrics have been identified down to the atomic scale using a combination of transmission electron microscopy (TEM) techniques. TEM sheds light on the morphology, phases present, size distributions and elemental variations between the two samples. Both materials consist of the HH phase, at both micro- and nanoscale levels, and comprise particles with two size ranges, 115 and 223 nm, on average, for large HH particles and 4–17 nm for nanoparticles for both materials. Hf incorporation in the HH lattice brought upon significant elemental fluctuations, manifested in chemical profiles and lattice parameter variations measured by post-experimental image analysis. The increased elemental variations induced by Hf substitution significantly contributed to the low thermal conductivity values and high power factor, leading to an enhanced figure of merit of 0.76 at 762 K for (Ti,Zr,Hf)NiSn, demonstrating the capability of TEM to confirm the structural features that are responsible for improved TE performance. Full article

Although concentrated solar power (CSP) coupled with calcium looping (CaL) offers a promising avenue for efficient thermal chemical energy storage, calcium-based sorbents suffer from accelerated structural degradation and decreased CO₂ capture capacity during multiple cycles. This study used Density Functional Theory (DFT) calculations to investigate the mechanism by which Mg and Ni doping improves the adsorption/desorption performance of CaO. The DFT results indicate that Mg and Ni doping can effectively reduce the formation energy of oxygen vacancies on the CaO surface. Mg–Ni co-doping exhibits a significant synergistic effect, with the formation energy of oxygen vacancies reduced to 5.072 eV. Meanwhile, the O²⁻ diffusion energy barrier in the co-doped system was reduced to 2.692 eV, significantly improving the ion transport efficiency. In terms of CO₂ adsorption, Mg and Ni co-doping enhances the interaction between surface O atoms and CO₂, increasing the adsorption energy to −1.703 eV and forming a more stable CO₃²⁻ structure. For the desorption process, Mg and Ni co-doping restructured the CaCO₃ surface structure, reducing the CO₂ desorption energy barrier to 3.922 eV and significantly promoting carbonate decomposition. This work reveals, at the molecular level, how Mg and Ni doping optimizes adsorption–desorption in calcium-based materials, providing theoretical guidance for designing high-performance sorbents. Full article

High-performance hydrogen gas sensors have gained considerable interest for their crucial function in reducing H₂ explosion risk. Although MoS₂ has good potential for chemical sensing, its application in hydrogen detection at room temperature is limited by slow response and incomplete recovery. In this work, Pd-doped MoS₂ thin films are deposited on a Si substrate, forming Pd-doped MoS₂/Si heterojunctions via magnetron co-sputtering. The incorporation of Pd nanoparticles significantly enhances the catalytic activity for hydrogen adsorption and facilitates more efficient electron transfer. Owing to its distinct structural characteristics and sharp interface properties, the fabricated Pd-doped MoS₂/Si heterojunction device exhibits excellent H₂ sensing performance under room temperature conditions. The gas sensor device achieves an impressive sensing response of ~6.4 × 10³% under 10,000 ppm H₂ concentration, representing a 110% improvement compared to pristine MoS₂. Furthermore, the fabricated heterojunction device demonstrates rapid response and recovery times (24.6/12.2 s), excellent repeatability, strong humidity resistance, and a ppb-level detection limit. These results demonstrate the promising application prospects of Pd-doped MoS₂/Si heterojunctions in the development of advanced gas sensing devices. Full article

Accelerated industrialization and surging energy demands have led to continuously rising atmospheric CO₂ concentrations. Developing sustainable methods to reduce atmospheric CO₂ levels is crucial for achieving carbon neutrality. Concurrently, the rapid development of new energy vehicles has driven a significant increase in demand for lithium-ion batteries (LIBs), which are now approaching an end-of-life peak. Efficient recycling of valuable metals from spent LIBs represents a critical challenge. This study employs conventional hydrometallurgical processing to recover valuable metals from spent LIBs. Subsequently, Ni-doped Co₃O₄ (Ni:Co₃O₄) supported on the natural mineral attapulgite (ATP) was synthesized via a sol–gel method. The incorporation of a small amount of Ni into the Co₃O₄ lattice generates oxygen vacancies, inducing a localized surface plasmon resonance (LSPR) effect, which significantly enhances charge carrier transport and separation efficiency. During the photocatalytic reduction of CO₂, the primary product CO generated by the Ni:Co₃O₄/ATP composite achieved a high production rate of 30.1 μmol·g⁻¹·h⁻¹. Furthermore, the composite maintains robust catalytic activity even after five consecutive reaction cycles. Full article

The stabilization of heavy metal elements, such as zinc, in the form of ions within the glass-ceramics represents a valuable approach to addressing environmental pollution caused by heavy metals. This study investigates the feasibility and physicochemical properties of diopside-based glass-ceramics synthesized from zinc-containing smelting slag. The zinc-rich smelting slag is abundant in SiO₂, Al₂O₃, CaO, and other constituents, thereby providing cost-effective and efficient raw materials for glass-ceramic production. The conversion of zinc-containing smelting slag into glass-ceramics was achieved through a melting process. We analyzed the effects of varying doping levels on the properties of the resulting glass-ceramics. The results indicated that as the doping level of smelting slag increases, the crystallization temperature of the glass-ceramics decreases while the crystal phases of diopside and anorthite progressively increase, significantly enhancing both mechanical strength and chemical stability. Notably, when the doping level reaches 60%, these glass-ceramics exhibit remarkable physical properties, including high density (3.12 g/cm³), Vickers hardness (16.60 GPa), and excellent flexural strength (150.75 MPa). Furthermore, with increasing amounts of doped smelting slag, there are substantial improvements in acid resistance, alkali resistance, and corrosion resistance in these materials. Raman spectroscopy and EDS analysis further verified a uniform distribution of the crystal phase and effective immobilization of heavy metal zinc. Full article

Ultra-fine-grained bainitic (UFGB) steels offer excellent mechanical properties, which can be further improved by applying diamond-like carbon (DLC) coatings. However, poor adhesion between the coating and substrate remains a key limitation. Since the steel’s microstructure degrades at high temperatures, enhancing adhesion without heating the substrate is essential. This study investigates surface hardening combined with simultaneous nitrogen and hydrogen doping during the Radio Frequency Chemical Vapor Deposition (RFCVD) process to improve coating performance. Varying gas compositions were tested to assess their effects on coating properties. Nitrogen incorporation decreased hardness from 12 GPa to 9 GPa but improved adhesion, while hydrogen limited damage after coating failure. Optimizing the gas mixture led to enhanced adhesion and wear resistance. Raman and X-ray photoelectron spectroscopy (XPS) analyses confirmed that the optimized coatings had the highest sp³ bond content and elevated nitrogen levels. While both hardness and adhesion contributed to wear resistance, no direct link to coating thickness was found. Overall, co-doping with nitrogen and hydrogen is an effective approach to improve adhesion and wear resistance without requiring high processing temperatures or complex equipment. Full article

Co_0.95R_0.05Fe₂O₄ nanoparticles were synthesized using a sol-gel approach incorporating bio-based agents and were found to be single phases adopting a cubic Fd-3m structure. XPS shows the presence of Gd³⁺ and Ho³⁺ ions. The spin–orbit splitting of about 15.4 eV observed in Co 2p core-level spectra is an indication that Co is predominantly present as Co³⁺ state, while the satellite structures located at about 6 eV higher energies than the main lines confirm the existence of divalent Co in Co_0.95R_0.05Fe₂O₄. The positions of the Co 3s and Fe 3s main peaks obtained by curve fitting and the exchange splitting obtained values for Co 3s and Fe 3s levels point to the high Co³⁺/Co²⁺ and Fe³⁺/Fe²⁺ ratios in both samples. The saturation magnetizations are smaller for the doped samples compared to the pristine ones. For theoretical magnetization calculation, we have considered that the heavy rare earths are in octahedral sites and their magnetic moments are aligned antiparallelly with 3d transition magnetic moments. ZFC-FC curves shows that some nanoparticles remain superparamagnetic, while the rest are ferrimagnetic, ordered at room temperature, and showing interparticle interactions. The M_S/Ms ratio at room temperature is below 0.5, indicating the predominance of magnetostatic interactions. Full article

As a promising n-type semiconductor thermoelectric material, ZnO has great potential in the high-temperature working temperature range due to its advantages of abundant sources, low cost, high thermal stability, and good chemical stability, as well as being pollution-free. Sr-doped ZnO-based thermoelectric materials were prepared using the methods of room-temperature powder synthesis and high-temperature block synthesis. The phase composition, crystal structure, and thermoelectric performances of ZnO samples with different Sr doping levels were analyzed using XRD, material simulation software and thermoelectric testing devices, and the optimal doping concentrations were obtained. The results show that Sr doping could cause the Zn-O bond to become shorter; in addition, the hybridization between Zn and O atoms would become stronger, and the Sr atom would modify the density of states near the Fermi level, which could significantly increase the carrier concentration, electrical conductivity, and corresponding power factor. Sr doping could cause lattice distortion, enhance the phonon scattering effect, and decrease the lattice thermal conductivity and thermal conductivity. Sr doping can achieve the effect of improving electrical transport performance and decreasing thermal transport performance. The ZT value increased to ~0.418 at 873 K, which is ~4.2 times the highest ZT of the undoped ZnO sample. The Vickers hardness was increased to ~351.1 HV, which is 45% higher than the pristine ZnO. Full article

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO₂, CO, H₂S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies. Full article

We have conducted a first-time investigation into the multiferroic properties and band gap behavior of ${\mathrm{CuFeO}}_2$ doped with Al, Ga, and In ions at the Fe site, employing a microscopic model and Green’s function formalism. The tunability of the band gap across a broad energy spectrum highlights the potential of perovskite materials for advanced applications, including photovoltaics, photodetectors, lasers, light-emitting diodes, and high-energy particle sensors. The disparity in ionic radii between the dopant and host ions introduces local lattice distortions, leading to modifications in the exchange interaction parameters. As a result, the influence of ion doping on various properties of ${\mathrm{CuFeO}}_2$ has been elucidated at microscopic level. Our findings indicate that Al doping enhances magnetization and reduces the band gap energy. In contrast, doping with Ga or In results in a decrease in magnetization and an increase in band gap energy. Additionally, it is demonstrated that ferroelectric polarization can be induced either via external magnetic fields or by Al substitution at the Fe site. The theoretical results show good qualitative agreement with experimental data, confirming the validity of the proposed model and method. Full article

Silica fume-based geopolymer composite coatings, an approach to using metallurgical solid waste, exert flame retardancy with ecological, halogen-free, and environmentally friendly advantages, but their fire resistance needs to be improved further. Herein, a silica fume-based geopolymer composite flame-retardant coating was designed by doping boric acid (BA), zinc phytate (ZnPA), and melamine (MEL). The results of a cone calorimeter demonstrated that appropriate ZnPA and BA significantly enhanced its flame retardancy, evidenced by the peak heat release rate (p-HRR) decreasing from 268.78 to 118.72 kW·m⁻², the fire performance index (FPI) increasing from 0.59 to 2.83 s·m²·kW⁻¹, and the flame retardancy index increasing from 1.00 to 8.48, respectively. Meanwhile, the in situ-formed boron phosphate (BPO₄) facilitated the residual resilience of the fire-barrier layer. Furthermore, the pyrolysis kinetics indicated that the three-level chemical reactions governed the pyrolysis of the coatings. BPO₄ made the pyrolysis E_α climb from 94.28 (P5) to 127.08 (B3) kJ·mol⁻¹ with temperatures of 731–940 °C, corresponding to improved thermal stability. Consequently, this study explored the synergistic flame-retardant mechanism of silica fume-based geopolymer coatings doped with ZnPA, BA, and MEL, providing an efficient strategy for the high-value-added recycling utilization of silica fume. Full article

The spectroscopic properties of Pr³⁺ ions in the aluminosilicate matrix were investigated for the first time. Synthesis of CaAl₂SiO₆ (CASO) polycrystals doped with Pr³⁺ ions was carried out using the sol–gel method. The crystalline structures have been confirmed with XRD measurement. The absorption, excitation, emission spectra, and time decay profiles of the praseodymium (III) ions were measured and analyzed. It was found that upon excitation with visible light, this material exhibits emission mainly in the UVC region, via an upconversion emission process. The Stokes emission in the visible range is observed mainly from the ³P₀ and ¹D₂ energy levels. The ¹D₂→³H₄ emission is very stable even at very high temperatures. The studied aluminosilicate phosphors possess characteristics that confirm their potential in upconversion emission applications. Full article

Fermi-level pinning (FLP) at metal–semiconductor interfaces remains a key obstacle to achieving low-resistance contacts in two-dimensional (2D) transition metal dichalcogenide (TMDC)-based heterostructures. Here, we present a first-principles study of Schottky barrier formation in WSe₂-MoSe₂ van der Waals heterostructures interfaced with four representative metals (Ag, Al, Au, and Pt). It was found that all metal–WSe₂/MoSe₂ direct contacts induce pronounced metal-induced gap states (MIGSs), leading to significant FLP inside the WSe₂/MoSe₂ band gaps and elevated Schottky barrier heights (SBHs) greater than 0.31 eV. By introducing a 2D metal-doped metallic (mWSe/mMoSe) layer between WSe₂/MoSe₂ and the metal electrodes, the MIGSs can be effectively suppressed, resulting in nearly negligible SBHs for both electrons and holes, with even an SBH of 0 eV observed in the Ag-AgMoSe-MoSe₂ contact, thereby enabling quasi-Ohmic contact behavior. Our results offer a universal and practical strategy to mitigate FLP and achieve high-performance TMDC-based electronic devices with ultralow contact resistance. Full article