Search Results (1,103)

As an efficient clean energy technology, water electrolysis for hydrogen production has its efficiency limited by the sluggish oxygen evolution reaction (OER) kinetics, which drives the demand for the development of high-performance anode OER catalysts. This work constructs bimetallic (Al, Mn) co-doped nanoporous spinel CoFe₂O₄ (np-CFO) with a tunable structure and composition as an OER catalyst through a simple two-step dealloying strategy. The as-formed np-CFO (Al and Mn) features a hierarchical flaky configuration; that is, there are a large number of fine nanosheets attached to the surface of a regular micron-sized flake, which not only increases the number of active sites but also enhances mass transport efficiency. Consequently, the optimized catalyst exhibits a low OER overpotential of only 320 mV at a current density of 10 mA cm⁻², a minimal Tafel slope of 45.09 mV dec⁻¹, and exceptional durability. Even under industrial conditions (6 M KOH, 60 °C), it only needs 1.83 V to achieve a current density of 500 mA cm⁻² and can maintain good stability for approximately 100 h at this high current density. Theoretical simulations indicate that Al and Mn co-doping could indeed optimize the electronic structure of CFO and thus decrease the energy barrier of OER to 1.35 eV. This work offers a practical approach towards synthesizing efficient and stable OER catalysts. Full article

This study presents the development of Cu-doped NiMo/TiO₂ photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at 400 °C and 900 °C to investigate structural transformations and catalytic performance. Comprehensive characterization (XRD, BET, SEM, XPS) revealed phase transitions, enhanced crystallinity, and redistribution of redox states upon Cu incorporation, particularly the formation of NiTiO₃ and an increase in oxygen vacancies. Crystallite sizes for anatase, rutile, and brookite ranged from 21 to 47 nm at NiMoCu400, while NiMoCu900 exhibited only the rutile phase with 55 nm crystallites. BET analysis showed a surface area of 44.4 m²·g⁻¹ for NiMoCu400, and electrochemical measurements confirmed its higher electrochemically active surface area (ECSA, 2.4 cm²), indicating enhanced surface accessibility. In contrast, NiMoCu900 exhibited a much lower BET surface area (1.4 m²·g⁻¹) and ECSA (1.4 cm²), consistent with its inferior photoelectrocatalytic performance. Compared to previously reported binary NiMo/TiO₂ systems, the ternary NiMoCu/TiO₂ catalysts demonstrated significantly improved hydrogen production activity and more efficient photoelectrochemical degradation of paracetamol. Specifically, NiMoCu400 showed an anodic peak current of 0.24 mA·cm⁻² for paracetamol oxidation, representing a 60% increase over NiMo400 and a cathodic current of –0.46 mA·cm⁻² at –0.1 V vs. RHE under illumination, nearly six times higher than the undoped counterpart (–0.08 mA·cm⁻²). Mott–Schottky analysis further revealed that NiMoCu400 retained n-type behavior, while NiMoCu900 exhibited an unusual inversion to p-type, likely due to Cu migration and rutile-phase-induced realignment of donor states. Despite its higher photosensitivity, NiMoCu900 showed negligible photocurrent, confirming that structural preservation and surface redox activity are critical for photoelectrochemical performance. This work provides mechanistic insight into Cu-mediated photoelectrocatalysis and identifies NiMoCu/TiO₂ as a promising bifunctional platform for integrated solar-driven water treatment and sustainable hydrogen production. 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

Copper-doped indium zinc sulfides were synthesized by heating and stirring a mixture of zinc chloride, indium chloride tetrahydrate, thioacetamide, and copper chloride at 180 °C for 18 h. Among these, Zn_5.7Cu_0.3In₂S₉ exhibited a hydrogen-producing activity of 1660 μmol/g·h, which was approximately five times higher than that of pristine indium zinc sulfide. Therefore, the catalyst was characterized to investigate the effect of Cu addition. PL results revealed that the incorporation of Cu reduced the fluorescence intensity, indicating suppressed recombination of photogenerated electron–hole pairs. DRS showed that the Cu addition enhanced optical absorption in the visible-light region and narrowed the band gap. These findings suggest that the incorporation of copper into indium zinc sulfide improves its photocatalytic activity. Full article

Hydrogen, as a renewable and clean energy with a high energy density, is of great significance to the realization of carbon neutrality. In recent years, extensive research has been conducted on the electrocatalytic hydrogen evolution reaction (HER) by splitting water, with a focus on developing efficient electrocatalysts that can perform the HER at an overpotential with minimal power consumption. Tungsten oxide (WO₃), a non-noble-metal-based material, has great potential in hydrogen evolution due to its excellent redox capability, low cost, and high stability. However, it cannot meet practical needs because of its poor electrical conductivity and the limited number of active sites; thus, it is necessary to further improve HER performance. In this review, recent advances related to WO3-based electrocatalysts for the HER are introduced. Most importantly, several tactics for optimizing the electrocatalytic HER activity of WO₃ are summarized, such as controlling its morphology, phase transition, defect engineering (anion vacancies, cation doping, and interstitial atoms), constructing a heterostructure, and the microenvironment effect. This review can provide insight into the development of novel catalysts with high activity for the HER and other renewable energy applications. 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

Hydrogen (H₂) gas sensors are essential for detecting leaks and ensuring safety, thereby supporting the broader adoption of hydrogen energy. The performance of H₂ sensors has been shown to be improved by the incorporation of TiO₂ nanostructures. The key findings are summarized as follows: (1) Resistive random-access memory (ReRAM) technology was used to fabricate extremely compact H₂ sensors via various forming techniques, and substantial sensor performance enhancement was investigated. (2) A nanocontact composed of titanium oxide (TiO_x)/platinum (Pt) was subjected to various forming operations to establish a Schottky junction with a nanogap structure on a tantalum oxide (Ta₂O₅) layer, and its properties were assessed. (3) When the Pt electrode was on the positive side during the forming operation used for ReRAM technology, a Pt nanopillar structure was produced. By contrast, when the forming operation was conducted with a positive bias on the TiO_x side, a mixed oxide film of Ta and Ti was produced, which indicates local Ta doping into the TiO_x. A sensor response of over 1000 times was achieved at a minimal voltage of 1 mV at room temperature. (4) This sensor fabrication technology based on the forming operation is promising for the development of low-power consumption sensors. Full article

Transparent conductive oxides (TCOs) have become essential components in a broad range of modern devices, including smartphones, flat-panel displays, and photovoltaic cells. Currently, indium tin oxide (ITO) is used in approximately 90% of these devices. However, ITO prices continue to rise due to the limited supply of indium (In), making the development of alternative materials for TCOs indispensable. Therefore, this study highlights the latest advances in creating new, affordable materials, with a focus on aluminum-doped zinc oxide (AZO). Over the last few decades, this material has been widely studied to improve its physical properties, particularly its low electrical resistivity, which can affect the performance of various devices. Now, it is close to replacing ITO due to several advantages including cost-effectiveness, stability under hydrogen plasma, low processing temperatures, and lack of toxicity. Besides that, in comparison to other TCOs such as IZO, IGZO, or IZrO, AZO achieved a low electrical resistivity (10⁻⁵ ohm cm) while maintaining a high transparency across the visible spectrum (over 85%). Additionally, due to the increasing development of technologies utilizing such materials, it is essential to develop more effective techniques for producing TCOs on a larger scale. Additionally, due to the increasing development of technologies utilizing such materials, it is essential to develop more effective techniques for producing TCOs on a larger scale. This review emphasizes the potential of AZO as a cost-effective and scalable alternative to ITO, highlighting key advancements in deposition techniques such as pulsed laser deposition (PLD). Full article

The electrocatalytic decomposition of ammonia represents a promising route for sustainable hydrogen production, yet current systems rely heavily on noble metal catalysts with prohibitive costs and limited durability. A critical challenge lies in developing non-noble electrocatalysts that simultaneously achieve high active site exposure, optimized electronic configurations, and robust structural stability. Addressing these requirements, this study strategically engineered Cu-doped ZIF-8 architectures via in situ growth on nickel foam (NF) substrates through a facile room-temperature hydrothermal synthesis approach. Systematic optimization of the Cu/Zn molar ratio revealed that Cu_0.7Zn_0.3-ZIF/NF achieved optimal performance, exhibiting a distinctive nanoflower-like architecture that substantially increased accessible active sites. The hybrid catalyst demonstrated superior electrocatalytic performance with a current density of 124 mA cm⁻² at 1.6 V vs. RHE and a notably low Tafel slope of 30.94 mV dec⁻¹, outperforming both Zn-ZIF/NF (39.45 mV dec⁻¹) and Cu-ZIF/NF (31.39 mV dec⁻¹). Combined XPS and EDS analyses unveiled a synergistic electronic structure modulation between Zn and Cu, which facilitated charge transfer and enhanced catalytic efficiency. A gas chromatography product analysis identified H₂ and N₂ as the primary gaseous products, confirming the predominant occurrence of the ammonia oxidation reaction (AOR). This study not only presents a noble metal-free electrocatalyst with exceptional efficiency and durability for ammonia decomposition but also demonstrates the significant potential of MOF-derived materials in sustainable hydrogen production technologies. Full article

(1) Background: The highly pathogenic avian influenza virus H5N1 clade 2.3.4.4b is an emerging threat that poses a great risk to the poultry industry. A few human cases have been linked to the infection with this clade in many parts of the world, including the USA. Unfortunately, there are no specific vaccines or antiviral drugs that could help prevent and treat the infection caused by this virus in birds. Our major objective is to identify/repurpose some (novel/known) antiviral compounds that may inhibit viral replication by targeting some key viral proteins. (2) Methods: We used state-of-the-art machine learning tools such as molecular docking and MD-simulation methods from Biovia Discovery Studio (v24.1.0.321712). The key target proteins such as hemagglutinin (HA), neuraminidase (NA), Matrix-2 protein (M2), and the cap-binding domain of PB2 (PB2/CBD) homology models were validated through structural assessment via DOPE scores, Ramachandran plots, and Verify-3D metrics, ensuring reliable structural representations, confirming their reliability for subsequent in silico approaches. These approaches include molecular docking followed by molecular dynamics simulation for 50 nanoseconds (ns), highlighting the structural stability and compactness of the docked complexes. (3) Results: Molecular docking revealed strong binding affinities for both sofosbuvir and GS441524, particularly with the NA and PB2/CBD protein targets. Among them, GS441524 exhibited superior interaction scores and a greater number of hydrogen bonds with key functional residues of NA and PB2/CBD. The MM-GBSA binding free energy calculations further supported these findings, as GS441524 displayed more favorable binding energies compared to several known standard inhibitors, including F0045S for HA, Zanamivir for NA, Rimantadine and Amantadine for M2, and PB2-39 for PB2/CBD. Additionally, 50 ns molecular dynamics simulations highlighted the structural stability and compactness of the GS441524-PB2/CBD complex, further supporting its potential as a promising antiviral candidate. Furthermore, hydrogen bond monitor analysis over the 50 ns simulation confirmed persistent and specific interactions between the ligand and proteins, suggesting that GS441524 may effectively inhibit the NA, and PB2/CBD might potentially disrupt PB2-mediated RNA synthesis. (4) Conclusions: Our findings are consistent with previous evidence supporting the antiviral activity of certain nucleoside analog inhibitors, including GS441524, against various coronaviruses. These results further support the potential repurposing of GS441524 as a promising therapeutic candidate against H5N1 avian influenza clade 2.3.4.4b. However, further functional studies are required to validate these in silico predictions and support the inhibitory action of GS441524 against the targeted proteins of H5N1, specifically clade 2.3.4.4b. Full article

The paper shows the effect of using a lubricant in the form of an ionic liquid, 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF₆), on the tribological properties of a hydrogenated diamond-like coating (DLC) doped with tungsten a-C:H:W. The coatings were deposited on 100Cr6 steel by plasma-enhanced chemical vapor deposition PECVD. Tribological tests were carried out on a TRB³ tribometer in a rotary motion in a ball–disc combination. 100Cr6 steel balls were used as a counter-sample. Friction and wear tests were carried out for discs made of 100Cr6 steel and 100Cr6 steel discs with a DLC coating. They were performed under friction conditions with and without lubrication under 10 N and 15 N loads. The ionic liquid BMIM-PF₆ was used as a lubricant. Coating thickness was observed on a scanning microscope, and the linear analysis of chemical composition on the cross-section was analyzed using the EDS analyzer. The confocal microscope with an interferometric mode was used for analysis of the geometric structure of the surface before and after the tribological tests. The contact angle of the samples for distilled water, diiodomethane and ionic liquid was tested on an optical tensiometer. The test results showed good cooperation of the DLC coating with the lubricant. It lowered the coefficient of friction in comparison to steel about 20%. This indicates the synergistic nature of the interaction: DLC coating–BMIM-PF₆ lubricant–100Cr6 steel. Full article

LiTaO₃ crystals doped with Cr³⁺ and Nd³⁺ ions are promising for developing active nonlinear laser media. In this work, the defect structure of LiTaO₃ crystals, including those doped with Cr³⁺ and Nd³⁺, is examined. X-ray patterns of all six investigated LiTaO₃:Cr:Nd crystals are identical and correspond to a highly perfect structure. Using optical microscopy, the presence of defects of various shapes, microinhomogeneities, and lacunae was revealed. The optical absorption and Raman scattering spectra of a series of nonlinear, optical, double-doped LiTaO₃:Cr³⁺:Nd³⁺ (0.06 ≤ [Cr³⁺] ≤ 0.2; 0.2 ≤ [Nd³⁺] ≤ 0.45 wt%) crystals showed that at concentrations of doping Cr³⁺ ions less than 0.09 wt% and Nd³⁺ ions less than 0.25 wt%, the crystal structure is characterized by a low level of defects, and the optical transmission spectra characterized by narrow lines corresponding to electron transitions in Nd³⁺ ions. In this case, for the radiative transition in the cation sublattice, the existence of three nonequivalent neodymium centers is observed, and for the radiative transition, two nonequivalent centers are observed. IR absorption spectroscopy in the OH⁻-stretching vibration range revealed two main spectral regions: 3463–3465 cm⁻¹, associated with stoichiometry changes, and 3486–3490 cm⁻¹, linked to complex defects such as (V^-_Li)-OH and (Ta⁴⁺_Li)-OH. A distinct low-intensity line at ~3504 cm⁻¹ was observed only in doped crystals, attributed to (Nd²⁺_Li)-OH defects that significantly distort the oxygen-octahedral clusters due to the larger ionic radius of Nd³⁺ compared to Ta⁵⁺. In contrast, Cr-related defects cause only minor distortions. The Klauer method indicated that the highest concentration of OH⁻-groups occurs in the LiTaO₃:Cr³⁺ (0.09 wt%):Nd³⁺ (0.25 wt%) crystal, where multiple complex defects are present. Full article

With the continuous consumption of fossil energy and the related environmental problems, clean energy, especially the hydrogen energy-derived water electrolysis, has attracted wide attention. However, as a result of the high energy consumption of water electrolysis and the limitations of single-function catalysts, there is an urgent need for cheap and simple-to-make bifunctional catalysts. In this work, based on the NiFe-LDH that is usually used for OER (Oxygen Evolution Reaction), doping of heteroatoms was carried out and a bifunctional catalyst could be then prepared using biomass as the carbon source. The preparation of catalyst precursors and in situ reduction were performed through the coupling process of hydrothermal and pyrolysis to enhance the electrolytic activity of the catalyst. Results showed that the overpotentials required to reach a current density of 10 mA·cm⁻² for the HER and OER processes were 305.2 mV and 310.4 mV, respectively, which are superior to the commercial catalysts. In the subsequent characterization, the structural characteristics of the catalyst support and their structure–activity correlation with active metals were systematically investigated by TEM, XRD, and XPS analysis, providing mechanistic insights into the catalytic behavior. The basic catalytic mechanisms of HER and OER were also obtained: the HER process was due to the formation of a Ni₃Fe alloy structure during catalyst preparation, which changed the electronic structure of the catalyst, while the OER process was induced by the formation of a NiOOH intermediate. The research results are expected to provide new ideas and data support for the preparation of bifunctional catalysts. Full article

This study addresses the efficiency and cost challenges of hydrogen evolution reaction (HER) catalysts in the context of carbon neutrality strategies by employing a synergistic approach that combines cation vacancy anchoring and transition metal doping on two-dimensional (2D) MXenes. Using an in situ LiF/HCl etching process, the aluminum layers in Ti₃AlC₂ were precisely removed, resulting in a few-layer Ti₃C₂T_x MXene with an increased interlayer spacing of 12.3 Å. Doping with the transition metals Fe, Co, Ni, and Cu demonstrated that Fe@Ti₃C₂ provided the optimal HER performance, characterized by an overpotential (η₁₀) of 81 mV at 10 mA cm⁻², a low Tafel slope of 33.03 mV dec⁻¹, and the lowest charge transfer resistance (R_ct = 5.6 Ω cm²). Mechanistic investigations revealed that Fe’s 3d⁶ electrons induce an upward shift in the d-band center of MXene, improving hydrogen adsorption free energy and reducing lattice distortion. This research lays a solid foundation for the design of non-precious metal catalysts using MXenes and highlights future avenues in bimetallic synergy and scalability. Full article

Electrocatalytic urea oxidation reaction (UOR) is a promising dual-purpose approach for hydrogen production and wastewater treatment, addressing critical energy and environmental challenges. However, conventional anode materials often suffer from limited active sites and high charge transfer resistance, restricting UOR efficiency. To overcome these issues, a novel NiP@PNC/NF electrocatalyst was developed via a one-step thermal annealing process under nitrogen, integrating nickel phosphide (NiP) with phosphorus and nitrogen co-doped carbon nanotubes (PNCs) on a nickel foam (NF) substrate. This design enhances catalytic activity and charge transfer, achieving current densities of 50 mA cm⁻² at 1.34 V and 100 mA cm⁻² at 1.43 V versus the reversible hydrogen electrode (RHE). The electrode’s high electrochemical surface area (235 cm²) and double-layer capacitance (94.1 mF) reflect abundant active sites, far surpassing NiP/NF (48 cm², 15.8 mF) and PNC/NF (39.5 cm², 12.9 mF). It maintains exceptional stability, with only a 16.3% performance loss after 35 h, as confirmed by HR-TEM showing an intact nanostructure. Our single-step annealing technique provides simplicity, scalability, and efficient integration of NiP nanoparticles inside a PNC matrix on nickel foam. This method enables consistent distribution and robust substrate adhesion, which are difficult to attain with multi-step or more intricate techniques. Full article