Properties Of Oxide Research Articles

Favorable Adsorption and Detection Properties of Metal Oxides (NiO and Ag₂O) Modified Janus SnSSe Monolayer Toward SF₆ Decomposition Gases in a Gas-Insulated Equipment

Favorable Adsorption and Detection Properties of Metal Oxides (NiO and Ag₂O) Modified Janus SnSSe Monolayer Toward SF₆ Decomposition Gases in a Gas-Insulated Equipment

The Influence of the Plasma Electrolytic Oxidation Parameters of the Mg-AZ31B Alloy on the Micromechanical and Sclerometric Properties of Oxide Coatings

This manuscript presents the influence of manufacturing process parameters (peak current density, frequency, process time) on the micromechanical and sclerometric properties of oxide coatings. These parameters were selected based on Hartley’s experimental design, considering three variables at three levels. The coatings were produced on the AZ31B magnesium alloy using the plasma electrolytic oxidation (PEO) method. A trapezoidal voltage waveform and an alkaline, two-component electrolyte were used during the process. The micromechanical and sclerometric properties were assessed by measuring the hardness (HIT) and Young’s modulus (EIT) and determining three critical loads: Lc1 (the critical load at which the first coating damage occurred—Hertz tensile cracks within the scratch), Lc2 (the critical load causing the first cohesive damage to the coating), and Lc3 (the load at which the coating was completely destroyed). Scratch tests were supplemented with profilographometric measurements, which were used to generate isometric images. To identify the relationship between micromechanical and sclerometric properties and the manufacturing parameters, statistical analysis was performed. Research has demonstrated that the plasma electrolytic oxidation (PEO) process improves the micromechanical and adhesive properties of oxide coatings on the AZ31B magnesium alloy. The key process parameters, including peak current density, frequency, and duration, are crucial in determining these enhanced properties.

Synergetic Modulation of Electronic Properties of Cobalt Oxide via “Tb” Single Atom for Uphill Urea and Water Electrolysis

AbstractExploring single‐atom (SA) catalysts in hybrid urea‐assisted water electrolysis offers a viable alternative to both Hydrogen (H2) generation and polluted water treatment. However, the unfavorable electronic stabilization, low SA content, intrinsically slow kinetics, and imbalanced adsorption‐desorption steps are the bottleneck for its scale‐up implementation. Herein, a rare‐earth Terbium single atom (TbSA) is topologically stabilized on defect‐rich Co3O4 (TbSA@d‐Co3O4) by Tb─O co‐ordination for urea oxidation reaction (UOR) and H2 evolution reaction (HER). Benefitting from the strong TbSA interaction with the d‐Co3O4, the TbSA@d‐Co3O4 achieves a 10 mA cm−2 current density at 1.27 V and −35 mV for UOR and HER, respectively. Remarkably, when TbSA@d‐Co3O4 is applied as a bi‐functional catalyst in a two‐electrode system, it merely requires 1.22 V to acquire 10 mA cm−2 with excellent operational stability for 100 h. The hybrid electrolyzer can be successfully empowered by the triboelectric nanogenerator, AA battery, and solar panel with a nominal potential of 1.5 V. The mechanistic investigation predicts “TbSA” insertion in d‐Co3O4 lowered the potential determining step, attributed to balanced reaction energetics for adsorption‐desorption of intermediates and favorable charge transfer characteristics for UOR. This work offers a new paradigm to explore the catalytic properties of rare‐earth “f‐block” elements to create advanced electrocatalysts via structural modulation.

Photocatalytic Reactions over TiO2-Based Interfacial Charge Transfer Complexes

The present review is related to the novel approach for improvement of the optical properties of wide bandgap metal oxides, in particular TiO2, based on the formation of the inorganic–organic hybrids that display absorption in the visible spectral range due to the formation of interfacial charge transfer (ICT) complexes. We outlined the property requirements of TiO2-based ICT complexes for efficient photo-induced catalytic reactions, emphasizing the simplicity of the synthetic procedure, the possibility of the fine-tuning of the optical properties supported by the density functional theory (DFT) calculations, and the formation of a covalent linkage between the inorganic and organic components of hybrids, i.e., the nature of the interface. In addition, this study provides a comprehensive insight into the potential applications of TiO2-based ICT complexes in photo-driven catalytic reactions (water splitting and degradation of organic molecules), including the identification of the reactive species that participate in photocatalytic reactions by the spin-trapping electron paramagnetic resonance (EPR) technique. Considering the practically limitless number of combinations between the inorganic and organic components capable of forming oxide-based ICT complexes and with the knowledge that this research area is unexplored, we are confident it is worth studying, and we emphasized some further perspectives.

Preparation and Properties of Fe-Based Double Perovskite Oxide as Cathode Material for Intermediate-Temperature Solid Oxide Fuel Cell

Double perovskite oxides with mixed ionic and electronic conductors (MIECs) have been widely investigated as cathode materials for solid oxide fuel cells (SOFCs). Classical Fe-based double perovskites, due to their inherent low electronic and oxygen ionic conductivity, usually exhibit poor electrocatalytic activity. The existence of various valence states of B-site ions modifies the material’s catalytic activity, indicating the possibility of the partial substitution of Fe by higher-valence ions. LaBaFe2−xMoxO5+δ (x = 0, 0.03, 0.05, 0.07, 0.1, LBFMx) is used as intermediate-temperature solid oxide fuel cell (IT-SOFC) cathode materials. At a doping concentration above 0.1, the Mo substitution enhanced the cell volume, and the lattice expansion caused the formation of the impurity phase, BaMoO4. Compared with the parent material, Mo doping can regulate the oxygen vacancy concentration and accelerate the oxygen reduction reaction process to improve the electrochemical performance, as well as having a suitable coefficient of thermal expansion and excellent electrode stability. LaBaFe1.9Mo0.1O5+δ is a promising cathode material for IT-SOFC, which shows an excellent electrochemical performance, with this being demonstrated by having the lowest polarization resistance value of 0.017 Ω·cm2 at 800 °C, and the peak power density (PPD) of anode-supported single-cell LBFM0.1|CGO|NiO+CGO reaching 599 mW·cm−2.

Evaluation of Mixing Temperature in the Preparation of Plant-Based Bigels

Understanding gel structures and behavior is a prerequisite for attaining the desired food application characteristics. The mixing temperature is crucial when incorporating thermolabile active compounds into gels. This study evaluated the effect of mixing temperature on the physical and chemical properties of a bigel system prepared using a carnauba wax/canola oil oleogel and Arabic gum hydrogels. The results showed that bigels prepared at lower temperatures (30 and 40 °C) resulted in a solid-like state under crystallization temperature, resulting in matrices with larger hydrogel droplets, softer texture, and lower adhesiveness, spreadability, and solvent binding capacity. In contrast, bigels prepared at higher temperatures (50 and 60 °C), around crystallization temperature but with no solid state, resulted in matrices with smaller hydrogel droplets and higher firmness, adhesiveness, and spreadability. These bigels had a higher apparent viscosity, especially at lower shear rates, and solid-like behavior in the linear viscosity range. During the bigel preparation process, adjusting the mixture temperature had no effect on the samples’ oxidative stability, FTIR spectra, or thermal properties. The results highlighted the importance of hydrogel droplet size on the microstructure of the formed bigels, and smaller droplets could act as effective fillers to reinforce the matrix without making chemical changes.

Optimization Strategies of Hybrid Lithium Titanate Oxide/Carbon Anodes for Lithium-Ion Batteries

Lithium-ion batteries, due to their high energy density, compact size, long lifetime, and low environmental impact, have achieved a dominant position in everyday life. These attributes have made them the preferred choice for powering portable devices such as laptops and smartphones, power tools, and electric vehicles. As technology advances rapidly, the demand for even more efficient energy storage devices continues to rise. In lithium-ion batteries, anodes play a crucial role, with lithium titanate oxide standing out as a highly promising material. This anode is favored for its exceptional cycle stability, safety features, and fast charging capabilities. The impressive cycle stability of lithium titanate oxide is largely due to its zero-strain nature, meaning it undergoes minimal volume changes during lithium-ion insertion and extraction. This stability enhances the anode’s durability, leading to longer battery life. In addition, the lithium titanate oxide anode operates at a voltage of approximately 1.55 V vs. Li+/Li, significantly reducing the risk of dendrite formation, a major safety concern that can cause short circuits and fires. The material’s spinel structure, with its large active surface area, further allows fast electron transfer and ion diffusion, facilitating fast charging. This review explores the characteristics of lithium titanate oxide, the various synthesis methods employed, and its integration with carbon materials to enhance cycle stability, coulombic efficiency, and safety. It also proposes strategies for optimizing lithium titanate oxide properties to create sustainable anodes with reduced environmental impact using eco-friendly routes.

Atomically Resolved Surface Reconstruction of WO3 (002).

The rearrangement of surface atoms in oxide nanocrystals, namely surface reconstruction, plays an important role in improving the physical and chemical properties of metal oxides. However, structural information pertaining to reconstructed surfaces is scarce due to the challenges associated with directly imaging surface and sub-surface atoms under reconstruction conditions. Herein, the reconstruction of the nanocrystalline tungsten trioxide (002) surface is directly investigated via scanning transmission electron microscope (STEM). The results reveal that the atoms on the reconstructed WO3 (002) surface are rearranged into a (1 × 2) structure, and the structural model is determined by density functional theory (DFT) calculation. In addition, after surface reconstruction, the Fermi level shifted toward the conduction band compared to the initial surface, achieving an effect similar to n-type doping. Surprisingly, analogous atomic rearrangements are also observed in cracks, indicating that sub-nanometer fractures in tungsten trioxide can be remedied through surface reconstruction, thus proposing an unconventional mechanism for crack healing. Furthermore, DFT calculations are used to analyze the models and electronic properties of the reconstruction structures. These findings provide insights into the surface reconstruction of WO3 (002) and the healing of nanoscale cracks in tungsten trioxide.

Strain Programming of Oxygen Octahedral Symmetry in Perovskite Oxide Thin Films

AbstractThe collective rotations of oxygen octahedra play an important role in determining the physical properties of functional perovskite oxides. The epitaxial strain can serve as an effective means to modify the oxygen octahedral symmetry (OOS), i.e., oxygen octahedral rotation or tilt (OOR/OOT). However, the strain‐OOS coupling that may alter the details of the OOS, thereby the physical properties, has not been fully understood. In this work, it is demonstrated that epitaxial strain can not only induce a structural phase transition but also precisely tune the degree of OOR. The correlated metal CaNbO3, which is orthorhombic, is studied by growing as epitaxial thin films. By imposing epitaxial strain, it is found that the film undergoes a structural phase transition from orthorhombic to tetragonal upon fully straining (i.e., from a+b−b− to a0a0c−). In unstrained films, the octahedral rotation along the c‐axis is as large as 15.7° that can be tuned to 6.6° by strain. This finding offers a general approach to manipulating OOR/OOT via strain engineering in complex oxide heterostructures.

An Innovative Biphasic Reaction System for Highly Selective Benzene Hydroxylation based on Photocatalytic Polymer Composites

AbstractThe hydroxylation of benzene to phenol in presence of hydrogen peroxide was performed using a new biphasic system consisting of a solid phase, a photocatalytically active monolithic polymer composite, immersed in an aqueous phase in which H2O2 is dissolved. In detail, ZnO photocatalytic particles were embedded into the hydrophobic syndiotactic polystyrene (sPS) polymer. Zinc oxide nanostructures (ZnO NSs) were synthesized by an electrochemical procedure. The surface morphology and structure of ZnO nanoparticles and ZnO‐sPS monolithic aerogel composite (ZnO/sPS) were investigated by scanning electron microscopy, X‐ray diffraction and X‐ray photoelectron spectroscopy analysis. Photocatalytic results evidenced that, under UV irradiation, both ZnO NSs and biphasic system water‐photocatalytic composites had a high benzene oxidative property but with very low phenol yield (<2 %) at pH=7. To enhance the phenol selective formation, the pH of the aqueous solution surrounding the photocatalytic polymer composite was modified. A phenol yield of about 94 % and benzene conversion higher than 99 % was obtained in alkaline conditions (pH=11).

Exploring Pt-Cu synergistic effects on porous SiO2 support with different Pt loadings for low-temperature oxidation of CO and C3H6

To address the high cost of noble metals, this study aims to optimize Pt loading and the synergistic effect of Cu on porous SiO2 support for low-temperature oxidation of CO and C3H6. A simulated test bench system was used to evaluate the performance of PtxCu1/SiO2 (where x= 0.3, 0.5, 0.7, and 1 wt%), Cu1/SiO2 and Ptx/SiO2 (where x= 0.5 and 1 wt%) catalysts with varying Pt loadings. Comprehensive characterization, including BET, XRD, SEM, TEM, and XPS was conducted to assess particle size, structure, and surface morphology. The effects of Pt incorporation on reduction and oxidation properties were further examined using H2-TPR and CO-TPD techniques. Results demonstrated a significant enhancement in catalytic activity with the addition of Cu confirming a synergistic interaction between Pt and Cu. This synergy was particularly pronounced in lower Pt loadings, where PtxCu1/SiO2 composites outperformed Ptx/SiO2 in catalytic activity. Pt addition reduced the particle size, which resulted in the creation of PtCu alloy, with 1 and 0.7 % wt Pt loading exhibiting comparable effects in CO conversion and 0.7 % Pt loading exhibiting better activity at higher temperatures in C3H6 oxidation indicating that catalytic activity was maintained even with a reduced Pt loading. Additionally, minimal difference in activity for C3H6 oxidation was observed among PtxCu1/SiO2 catalysts with 0.7, 0.5, and 0.3 wt% Pt loadings as indicated by T50 and T80 values. Reducing Pt loading from 0.7 wt% had minimal impact on catalytic efficiency for C3H6 oxidation with catalysts maintaining high activity. 0.7 wt% Pt loadings provide sufficient active sites for effective CO and HC oxidation. The enhanced catalytic activity and stability of bimetallic catalysts over monometallic Cu/SiO2 and Pt/SiO2 result from the simultaneous presence of active sites created by the synergetic effect of PtCu alloy formation with optimal ratio and well-optimized surface. These findings demonstrate the potential to optimize Pt usage without compromising catalytic performance, offering a cost-effective approach to catalyst design.

Analyzing boron oxide networks through Shannon entropy and Pearson correlation coefficient

In the current age of chemical science, chemical graph theory has significantly advanced our understanding of the characteristics of chemical compounds. To simulate the mathematical, chemical, and physical aspects of networks, a topological index, a numerical measure obtained from the graph of a chemical network, employed. Recent work has explored the topological properties of boron oxide using chemical graph theory. In this work, we conduct a Pearson correlation analysis of boron oxide to assess the correlations between the Van and S indices and entropy metrics. We analyze the Pearson correlation coefficients between the entropy values and the calculated indices using a heatmap. In this article, a significant positive correlation between the Van, and S indices, and entropy values, which is represented by the heatmap of the strong linear correlations. To avoid duplication, a dimensionality reduction technique should be used for highly connected variables. Additionally, this study gives a detailed explanation of the link between the indices and entropy, which will form the basis of further statistical investigations.

Effects of ultrasonic treatment and current pulse frequency on properties of micro-arc oxidation coating on Mg alloy LAZ931

To enhance corrosion resistance of magnesium-lithium (Mg-Li) alloy LAZ931 in corrosive environments, a micro-arc oxidation (MAO) based surface treatment was carried out under a unipolar pulsed power supply. Effects of ultrasonic treatment and current pulse frequency on the performance of MAO coatings were investigated using scanning electron microscopy, electrochemical characterization, and friction wear tests. Results demonstrate that ultrasonic treatment greatly reduced the number density of micro-defects in the resulting MAO coatings and improved their overall performance. Corrosion and wear resistance of the MAO coating increased when current pulse frequency increased from 400 to 2000 Hz. Those findings are beneficial for improving the performance of MAO on Mg-Li alloys through optimizing the processing parameters.

Evaluation of morphological, structural, thermal, electrical, and chemical composition properties of graphene oxide, and reduced graphene oxide obtained by sequential reduction methods

Evaluation of morphological, structural, thermal, electrical, and chemical composition properties of graphene oxide, and reduced graphene oxide obtained by sequential reduction methods

The effect of varying concentrations of acetic acid on the structural and optical properties of semiconductor zinc oxide (ZnO) nanoparticles synthesized via the sol–gel method

The effect of varying concentrations of acetic acid on the structural and optical properties of semiconductor zinc oxide (ZnO) nanoparticles synthesized via the sol–gel method

K-Mn3O4-NCs@PANI nanochains for high-rate and stable aqueous zinc-ion batteries: A doping and morphology-tailored synthesis strategy

Aqueous zinc ion batteries (AZIBs) are promising energy storage solutions due to their high energy density and safety. However, developing cathode materials that offer both high energy density and durability for Zn2+ ions storage remains challenging. Manganese (Mn) oxide-based cathodes have been developed for AZIBs due to their high discharge voltage and desirable capacity, but face challenges like poor conductivity, slow reaction kinetics, and dissolution during cycling. Doping, morphology/structure design, and protective layers are effective for enhancing the structure, conductivity, and electronic properties of Mn-based oxides. A synthetic strategy combining these methods for Mn3O4 cathodes is proposed for AZIBs. K+ ions doping in Mn3O4 (K-Mn3O4) can regulate local electronic structure, induce oxygen vacancies, improve conductivity, and provide more active sites for Zn2+ ions diffusion. Additionally, K-Mn3O4 nanochain (K-Mn3O4-NCs), with a unique chain-like nanostructure (NCs) and high aspect ratio, synthesized via Mn2+ ions chelation with nitrilotriacetic acid (NTA) and calcination, show reduced interparticle contact resistance, shorter Zn2+ ions diffusion length, and faster reaction kinetics. Meanwhile, the in-situ polymerized polyaniline (PANI) layer on K-Mn3O4-NCs shields against corrosion (K-Mn3O4-NCs@PANI), connects 1D K-Mn3O4-NCs into a continuous conductive network, suppresses volume expansion, and improves stability. Electrochemical analysis shows that K-Mn3O4-NCs@PANI exhibits higher stability and faster reaction kinetics due to a reduced bandgap, increased oxygen defects, and less coulombic repulsion between Zn2+ ions and Mn oxide hosts. The K-Mn3O4-NCs@PANI cathode achieved a high capacity of 510mAh/g at 0.1 A/g and excellent rate capacity of 203.2mAh/g at 5 A/g. After 20,000 cycles, it maintained a capacity of 90.3mAh/g at 5 A/g, showing exceptional long-term stability with a minimal decay rate of 0.026 ‰ per cycle.

Formation and mechanical properties of Y-substituted (Ce0.2Zr0.2La0.2Sm0.2Nd0.2)O2-δ high-entropy fluorite oxide

In this paper, in order to improve the mechanical properties of high-entropy fluorite oxides (HEFOs), five equimolar multicomponent oxides were synthesized by solid-phase reaction method by using element Y replacing one of the five cations in (Ce0.2Zr0.2La0.2Sm0.2Nd0.2)O2-δ. The substitution of La, Sm or Nd in (Ce0.2Zr0.2La0.2Sm0.2Nd0.2)O2-δ with Y element are able to form single-phase HEFOs at 1600 °C, while Ce4+ and Zr4+ replaced by Y3+ contains a large number of secondary phase. The former three components are almost dense and smooth, and all the elements are uniformly distributed with no obvious segregation and agglomeration. The Ce3+ concentration of Y-substituted Sm HEFOs is calculated to be 13.7%, yielding a nominal composition of (Ce0.2Zr0.2Y0.2Sm0.2Nd0.2)O1.6863. In addition, the HEFOs have the best mechanical properties with Vickers hardnesses, flexural strengths and fracture toughnesses of 15.12 GPa, 101.1 MPa and 7.88 MPa-mm1/2, respectively, which have potential applications in high-performance structural materials.

Synthesis and characterization of three-dimensional graphene oxide-chitosan/ glutaraldehyde nanocomposites: Towards adsorption of crocin from saffron

Despite the unique properties of graphene oxide (GO) as a green adsorbent, its low structural stability presents a drawback. This study aimed to modify the properties of GO through its functionalization with chitosan (CH), cross-linked with glutaraldehyde (GLU), and synthesized via the freeze-drying method (GO-CH/GLU). Microscopic analysis illustrated that covering the GO sheets with CH and nanoparticles (NPs) resulted in a 15.8 % increase in d-spacing and a 600 % increase in sheet thickness. The GO-CH/GLU composite was utilized for the separation/purification of crocin from saffron extract under varying pH (5–9), temperature (298–318 K), stirring rate (100–300 rpm), and crocin concentration (25–200 mg/mL). The Freundlich isotherm and pseudo-second-order kinetic models provided a good fit for crocin adsorption. Thermodynamic analysis revealed that the process was endothermic, spontaneous, and physical. Optimal adsorption conditions in batch mode were pH 7, a stirring rate of 300 rpm, a temperature of 318 K, and a crocin concentration of 100 mg/mL. These conditions were applied in a continuous system, resulting in a crocin separation efficiency of 94.17 % at 180 mL/h. Additionally, HPLC data indicated that the purity of separated crocin exceeded 90 %. So, the GO-CH/GLU composite is a promising and economical adsorbent for the food industry.

Effect of flame temperature on structure and CO oxidation properties of Pt/CeO2 catalyst by flame-assisted spray pyrolysis

Flame synthesis offers the potential for the synthesis of structure-controlled catalysts. In this study, Pt/CeO2 nanoparticles were synthesized via flame-assisted spray pyrolysis (FASP) and used as CO oxidation catalysts. The catalysts were synthesized using a burner diffusion flame at three different flame temperatures (maximum flame temperatures, Tf = 1556, 1785, and 2026 K), and their particle structure and CO oxidation activity were evaluated. The synthesized Pt/CeO2 catalysts had a bimodal structure containing 100 nm-scale CeO2 loaded with 10 nm-scale Pt and fine CeO2 less than 10 nm loaded with highly dispersed Pt (less than 1 nm). As the flame temperature increases from 1556 to 2026 K, the formation of fine CeO2 particles dominates, resulting in an increase in BET specific surface area from 7.97 to 112 m2/g and Pt dispersion from 4.67 to 20.6%. Insight into the particle formation routes that determine the catalyst structure is provided by numerical simulation of droplet evaporation in a burner flame. CO oxidation experiments showed that the temperature at which CO conversion reached 100% (T100) decreased from 513 to 378 K with increasing flame temperature in FASP. In addition, the thermal stability test showed that the Pt dispersion after thermal degradation was higher for Pt/CeO2 catalyst made by FASP at Tf = 2026 K than that prepared by the impregnation method, and the T100 for CO oxidation was lower by 20 K.

Effect of high-repetition frequency nanosecond laser remelting on microstructure and oxidation properties of low-pressure plasma sprayed NiCoCrAlYTa coating

Effect of high-repetition frequency nanosecond laser remelting on microstructure and oxidation properties of low-pressure plasma sprayed NiCoCrAlYTa coating