X-ray Photoelectron Spectroscopy Analysis Research Articles

Red-Emitting CsPbI3/ZnSe Colloidal Nanoheterostructures with Enhanced Optical Properties and Stability.

Producing heterostructures of cesium lead halide perovskites and metal-chalcogenides in the form of colloidal nanocrystals can improve their optical features and stability, and also govern the recombination of charge carriers. Herein, the synthesis of red-emitting CsPbI3/ZnSe nanoheterostructures is reported via an insitu hot injection method, which provides the crystallization conditions for both components, subsequently leading to heteroepitaxial growth. Steady-state absorption and photoluminescence studies alongside X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy analysis evidence on a type-I band alignment for CsPbI3/ZnSe nanoheterostructures, which exhibit photoluminescence quantum yield of 96% due to the effective passivation of surface defects, and an enhancement in carrier lifetime. Furthermore, the heterostructure growth of ZnSe domains leads to significant improvement in the stability of the CsPbI3 nanocrystals under ambient conditions and against thermal and UV irradiation stress.

Enhanced CO2 methanation over LaNiO3/CeO2 derivative catalyst with high activity and stability

The conversion of CO2 into synthetic natural gas offers a promising approach for the long-term storage of renewable energy, addressing the challenge of its intermittent supply. This study successfully developed a catalyst comprised of LaNiO3 supported by CeO2, synthesized via a citric acid-aided impregnation method. This catalyst demonstrated efficiency and stability as a precursor for the CO2 methanation reaction. Upon reduction, it transforms into a Ni–La2O3/CeO2 configuration, featuring dispersed Ni nanoparticles. Characterization through hydrogen temperature-programmed reduction (H2-TPR) revealed that this catalyst exhibits enhanced reducibility and smaller particle sizes, which promote hydrogen activation at lower temperatures. X-ray photoelectron spectroscopy (XPS) analysis further clarified that the increased catalytic activity results from electron transfer interactions between Ni, CeO2, and La2O3. Moreover, the catalyst displayed an augmented count of weak to medium basic sites, which, along with improved hydrogen activation, elevated the CO2 conversion rate to 83.8% within the kinetic control region. The collaborative effect of Ni, La2O3, and CeO2 substantially outperformed the conventional Ni/CeO2 catalyst in CO2 methanation efficiency. Additionally, in-situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) analysis revealed that the methanation process predominantly follows the HCOO* pathway. Notably, the LaNiO3/CeO2 catalyst exceeded the performance of Ni–La/CeO2 in CO2 adsorption, HCOO* intermediate decomposition, and CHO* conversion, significantly enhancing low-temperature methanation activity.

Advancement of electro-optical properties through changes in the physicochemical composition of hybrid thin films by doping reduced graphene oxide into a sol-gel process solution.

A hybrid thin film was fabricated by doping graphene oxide into a sol-gel solution containing a mixture of zirconium, bismuth, and indium oxide. The thin film was fabricated using a brush coating process. The graphene oxide doping ratios used were 0, 5, and 15 wt%. During the thin film fabrication process, the produced sol-gel solution generates a contractile force due to the shear stress of the brush bristles, resulting in a microgroove structure. This structure was confirmed through scanning electron microscopy analysis, which revealed the clear presence of rGO. Comparing the electrical properties of a zirconium bismuth indium oxide thin film without graphene oxide doping and a thin film doped with 15 wt% graphene oxide, the electro-optical properties were significantly improved with graphene oxide doping. In general, the threshold voltage decreased by approximately 0.42 V. In addition, bandgap measurements confirmed the improved conductivity characteristics with graphene oxide doping. Since this improvement in electro-optical properties is associated with the reduction process due to graphene oxide doping, X-ray photoelectron spectroscopy analysis was performed to assess the intensity change of each element. Based on these observations, hybrid thin films doped with graphene oxide emerge as promising candidates for next generation thin film.

Selective depression mechanism of polyaspartic acid and calcium oxide on arsenopyrite after copper ions activation and its effect on flotation separation performance

The arsenopyrite activated by copper ions have similar flotation properties to chalcopyrite. Polyaspartic acid (PASP) and calcium oxide (CaO) using as combination depressants for the selective separation of copper-activated arsenopyrite and chalcopyrite were carried out by micro-flotation experiments, contact angle measurements, surface adsorption capacity tests, zeta potential measurements, X-ray photoelectron spectroscopy (XPS) analyses, inductively coupled plasma-optical emission spectrometer (ICP-OES) tests and time-of-flight secondary ion mass spectrometry (ToF-SIMS) analyses, and its depression mechanism was investigated. The results of flotation experiments showed that the recovery of arsenopyrite after addition of the depressants reached only 7.80 %, while the recovery of chalcopyrite reached 94.02 %. The results of contact angles, adsorption capacity tests and zeta potential measurements showed that the PASP-CaO can selectively enhance the hydrophilicity of arsenopyrite surface, but has little effect on the chalcopyrite. XPS analyses and ICP-OES tests further verified that the depressants first eliminated the activation of copper ions and then selectively adsorbed on the surface of arsenopyrite. ToF-SIMS analyses showed that the PASP-CaO would achieve selective depression of arsenopyrite in the form of PASP, PASP-Ca complexes and Ca(OH)+, respectively. Finally, the mechanism diagram of PASP-CaO selectively depressing arsenopyrite was derived. These results will provide an excellent theoretical reference for the flotation separation of copper arsenic sulfide ore.

Plasma treatment of nafion membranes: Understanding the trade-off between surface modification and electrochemical degradation

Nafion is a polymer commonly used in electrochemical devices due to its excellent ionic conductivity. In applications such as proton-exchange membranes for fuel cells (PEMFCs) and ionomeric polymer metal composites (IPMCs), the interfacial properties are critical to device performance. Several studies use plasma treatment to modify the Nafion surface aiming for adhesion improvement through nanoroughness, however, most of them neglect the effects of this treatment on the membrane chemical structure and electrochemical performance. This work comprehensively investigates the Nafion properties, evaluating chemical, morphological, and electrochemical modifications trhough relevant characterization methods. Atomic force (AFM) and scanning electron microscopies (SEM) showed increased nanoroughness with plasma treatment time. Also, Fourier-transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analyses showed fluorine and sulfur abstraction, associated with side chain breakage. This effect was prejudicial to the water uptake and decreased the ionic conductivity, measured by Electrochemical Impedance Spectroscopy (EIS), from 140.8 to 1.0 μS cm−1 in the plasma-treated Nafion. Also, an applied electrochemical device was prepared and confirmed the ionic transport reduction using plasma-treated Nafion. This phenomenon is crucial for electrochemical devices, as fewer ionic channels remain on the treated membrane surface reducing water absorption, ionic conductivity, and charge density.

XPS analysis of molecular contamination and sp2 amorphous carbon on oxidized (100) diamond

Abstract The efficacy of oxygen (O) surface terminations on diamond is an important factor for the performance and stability for diamond-based quantum sensors and electronics. Given the wide breadth of O-termination techniques, it can be difficult to discern which method would yield the highest and most consistent O coverage. Furthermore, the interpretation of surface characterization techniques is complicated by surface morphology and purity, which if not accounted for will yield inconsistent determination of the oxygen coverage. We present a comprehensive approach to consistently prepare and analyze oxygen termination of surfaces on (100) single-crystalline diamond. We report on X-ray Photoelectron Spectroscopy (XPS) characterization of diamond surfaces treated with six oxidation methods that include various wet chemical oxidation techniques, photochemical oxidation with UV illumination, and steam oxidation using atomic layer deposition (ALD). Our analysis entails a rigorous XPS peak-fitting procedure for measuring the functionalization of O-terminated diamond. The findings herein have provided molecular-level insights on oxidized surfaces in (100) diamond, including the demonstration of clear correlation between the measured oxygen atomic percentage and the presence of molecular contaminants containing nitrogen, silicon, and sulfur. We also provide a comparison of the sp2 carbon content with the O(1s) atomic percentage and discern a correlation with the diamond samples treated with dry oxidation which eventually tapers off at a max O(1s) atomic percentage value of 7.09 ± 0.40%. Given these results, we conclude that the dry oxidation methods yield some of the highest oxygen amounts, with the ALD water vapor technique proving to be the cleanest technique out of all the oxidation methods explored in this work.

Tuning the End Alkyl Chain of the Ether Solvent to Stabilize the Electrode/Electrolyte Interfaces in the NCM-Li Battery.

Lithium metal batteries (LMBs) combined with a high-voltage nickel-rich cathode show great potential in meeting the growing need for high energy density. The lack of advanced electrolytes has been a major obstacle in the commercialization of high-voltage lithium metal batteries (LMBs), as these electrolytes need to effectively support both a stable lithium metal anode (LMA) and a high-voltage cathode (>4 V vs Li+/Li). In this work, by extending the two terminal methyl groups in DIGDME and TEGDME to n-butyl groups, we design a new weakly solvating electrolyte (2 M LIFSI+TEGDBE) that enables the stable cycling of NMC83 (LiNi0.83Co0.12Mn0.05O2) cathodes. The NMC83 cell exhibits a high and stable Coulombic efficiency (CE) of over 99%, as well as capacity retention of approximately 99.8% after 100 cycles at 0.3 C. X-ray photoelectron spectroscopy analysis (XPS) and high-resolution transmission electron microscope (HRTEM) images revealed that the anion species decomposed first, resulting in the formation of a cathode-electrolyte interface (CEI) film predominantly consisting of decomposition products from the anions on the positive electrode surface. This work links the functional group of solvents with the solvation structure and electrochemical performance of ether-based electrolytes, providing a distinctive sight to design advanced electrolytes for high-energy-density LMBs.

Experimental and theoretical insights into Artemisia Stems aqueous extract as a sustainable and eco-friendly corrosion inhibitor for mild steel in 1M HCl environment.

The present research demonstrates an innovative investigation of environmentally friendly mild steel (M-steel) corrosion inhibition using the artemisia stems aqueous extract (ASAEx) as an inhibitor in hydrochloric acid 1M. The standard extraction technique of hydrodistillation was used for producing the aqueous solutions of ASAEx. To assess the ratios of the chemical components, phytochemical screening was used to identify the stems of this plant. We used a variety of methods and techniques in our research on corrosion inhibition, including weight loss measures, surface analysis methods like XPS and SEM/EDS, electrochemical testing like PDP and EIS, as well as computational lead compound evaluation. Maximum inhibitory efficacy was achieved with 400mg/L ASAEx in 1M HCl at 303K, i.e. 90%. The PDP investigation verified the mixed-kind inhibitor status of the ASAEx extract. To describe the surface of M-steel, fitting and synthetic data were used to identify a constant phase element (CPE). SEM surface analysis was also used to detect the ASAEx effect on the surface of M-steel. X-ray photoelectron spectroscopy (XPS) analysis shows the presence of trace molecules of ASAEx on M-steel surface characterizing the bands in Maj-ASAEx (major compound of ASAEx). Density functional theory (DFT) and molecular dynamics simulations (MDs) were used in computational chemistry to clarify the adsorption mechanism and inhibitory impact.

Perovskite Nanocrystals In Situ Encapsulated in TiO2 Microspheres for Stable CO2 Photoreduction in Water.

Photoreduction of carbon dioxide (CO2) into fuels presents a promising approach to mitigate global warming and energy crises. Halide perovskite nanocrystals (NCs) with prominent optoelectronic properties have triggered substantial attention as photocatalysts but are limited by the charge recombination and instability. Here, we develop stable CsPbBr3/titania microspheres (TMs) by in situ growth of CsPbBr3 NCs inside mesoporous TMs through solid-state sintering, which significantly improves the stability of perovskite NCs, making them applicable in water with efficient CO2 photoreduction performance. Notably, the CsPbBr3/TMs demonstrates a 6.73- and 9.23-fold increase in the rate of CH4 production compared to TMs and CsPbBr3, respectively. The internal electric field facilitates S-scheme charge transfer, enhancing the separation of electron-hole pairs, as evidenced by X-ray photoelectron spectroscopy and electron paramagnetic resonance analysis, which is pivotal for the selective photoreduction of CO2. These insights pave the way for the design of CsPbBr3-based photocatalysts with superior efficiency and stability.

Electrodeposition behaviour of samarium in 1,3-dimethyl-2-imidazolidone solvent

Abstract The present study investigates the electrochemistry spectroscopy of Sm(III), and electrodeposition of samarium metal in neutral ligand-based ionic liquid (solvate ionic liquid). Mixture consisted of a samarium precursor (either samarium triflate or samarium nitrate hexahydrate) in the solvate ionic liquid, 1.3-dimethyl-2-imidazolidone (DMI). FT-IR analysis of Sm(III)-DMI electrolytes indicates that Sm3+ ion coordinates with DMI through carbonyl group (C=O); the band splits into two with emergence of new peak at 1630 cm−1 and 1649 cm−1 for the triflate and nitrate solutions, respectively. Raman spectroscopy also confirms the solvation of Sm(III) with DMI through oxygen atom of the carbonyl group. Voltametric behaviour of Sm(III) ion indicates two-step reduction mechanism via Sm(III)/Sm(II) at ca. −2.0 V and Sm(II)/Sm(0) at ca. −3.0 V vs. Ag/Ag+ for both samarium(III)-containing electrolytes. Diffusion coefficient value of Sm(III) was determined to be 2.185 × 10−6 cm2/s and 2.418 × 10−8 cm2/s for triflate and nitrate electrolytes, respectively. Electrodeposition of samarium was achieved through constant potential electrolysis using copper substrate as the working electrode which yielded compact deposits from triflate-DMI and non-uniform granular deposit from nitrate-DMI electrolyte. Ex situ X-ray photoelectron spectroscopy analysis of the as-deposited samples revealed the presence of metallic Sm (1081 eV) co-existing with its oxide form (1083 eV).

Copper-Nanoparticle-Decorated Hydrothermal Carbonaceous Carbon-Polydimethylsiloxane Nanocomposites: Unveiling Potential in Simultaneous Light-Driven Interfacial Water Evaporation and Power Generation.

This study introduces a hydrothermal synthesis method that uses glucose and Cu2+ ions to create a Cu-nanoparticle (NP)-decorated hydrothermal carbonaceous carbon hybrid material (Cu-HTCC). Glucose serves both as a reducing agent, efficiently transforming Cu2+ ions into elemental Cu nanostructures, and as a precursor for HTCC microstructures. An enhanced plasmon-induced electric field resulting from Cu NPs supported on microstructure matrices, coupled with a distinctive localized π-electronic configuration in the hybrid material, as confirmed by X-ray photoelectron spectroscopic analysis, lead to the heightened optical absorption in the visible-near-infrared range. Consequently, flexible nanocomposites of Cu-HTCC/PDMS and Cu-HTCC@PDMS (PDMS=polydimethylsiloxane) are designed as 2 and 3D structures, respectively, that exhibit broad-spectrum solar absorption. These composites promise efficient photo-assisted thermoelectric power generation and water evaporation, demonstrating commendable mechanical stability and flexibility. Notably, the Cu-HTCC@PDMS composite sponge simultaneously exhibits commendable efficiency in both water evaporation (1.47kgm-2h-1) and power generation (32.1mV) under 1 sunlight illumination. These findings unveil new possibilities for innovative photothermal functional materials in diverse solar-driven applications.

Microwave-assisted synthesis of novel Ti/BTB-MOFs as porous anticancer and antibacterial agents.

Nano compounds, especially metal-organic frameworks (MOFs), have significant properties. Among the most important properties of these compounds, which depend on their specific surface area and porosity, are biological properties, such as anticancer and antibacterial properties. In this study, a new titanium/BTB metal-organic framework (Ti/BTB-MOF) was synthesized by using titanium nitrate and 1,3,5-Tris(4-carboxyphenyl)benzene (BTB) under microwave radiation. The structure of the synthesized Ti/BTB-MOF was characterized and confirmed using X-ray diffraction (XRD) patterns, X-ray photoelectron spectroscopy (XPS) analysis, Fourier transform infrared (FT-IR) spectra, energy-dispersive X-ray (EDAX) analysis mapping, scanning electron microscope (SEM) images, thermogravimetric analysis (TGA) curves, and Brunauer-Emmett-Teller (BET) analysis. The in vitro anticancer properties of Ti/BTB-MOF were evaluated using the MTT method against MG-63/bone cancer cells and A-431/skin cancer cells. The in vitro antibacterial activity was tested using the Clinical and Laboratory Standards Institute (CLSI) guidelines. In the anticancer activity, IC50 (half-maximal inhibitory concentration) values of 152μg/mL and 201μg/mL for MG-63/bone cancer cells and A-431/skin cancer cells, respectively, were observed. In the antibacterial activity, minimum inhibitory concentrations (MICs) of 2-64μg/mL were observed against studied pathogenic strains. The antimicrobial activity of Ti/BTB-MOF was higher than that of penicillin and gentamicin. Therefore, the synthesized Ti/BTB-MOF could be introduced as a suitable bioactive candidate.

The adsorption of U(VI) on chlorite: batch, modeling and XPS study

Abstract A mechanistic modelling of the adsorption processes onto individual minerals presenting in the near- and far-fields can greatly enhance the credibility of long-term safety assessments of granite-based geological repositories. In this study, the titration and U(VI) adsorption characteristics of chlorite, one of the major minerals of rock fractures, have been studied. Potentiometric titration curves at two ionic strengths (0.1 and 0.4 mol/L NaCl) are successfully interpreted by considering protonation/deprotonation reactions on generic edge sites (≡SOH) in the framework of a non-electrostatic surface complexation model (SCM). The adsorption of U(VI) on chlorite was reached after 24 h, the adsorption kinetics can be described by a pseudo-second-order model. A non-electrostatic SCM with three surface complexes (≡SOUO2 +, ≡SO(UO2)3(OH)5 and ≡SO(UO2)3(OH)7 2−) was set up based on pH edges of U(VI) at adsorption equilibrium in the absence of CO2. Additional, experimental data measured as a function of U(VI) concentration, solid-to-liquid ratio and carbonate concentration were well reproduced by the proposed model. Finally, parallel experiments were conducted using X-ray photoelectron spectroscopy (XPS) to analyze the variation of U(VI) surface species speciation at different pH values. The good agreement between SCM prediction and XPS analysis demonstrates the reliability of the model in predicting and quantifying the radionuclides retention by chlorite.

Hydrothermal Synthesis of SnO2 with Different Morphologies as Sensing Materials for HCHO Detection.

Morphology regulation is an effective strategy for improving the sensor sensitivity of transition metal oxide nanostructures. In this work, SnO2 with three different morphologies (nanorods, nanoparticles, and nanopillars) has been synthesized by a simple one-step solvothermal process with the addition of various solute ratios at 180 °C for 6 h for detecting formaldehyde (HCHO) at the optimum working temperature of 320 °C. Compared to nanorods and nanopillars, the created SnO2 nanoparticles exhibit a much faster response time and sensitivity than other samples, showing the fastest recovery time (18 s) with the highest sensitivity of 6-100 ppm of the HCHO gas. The sensing mechanism of the sensors is investigated by Brunauer-Emmett-Teller (BET) methods and X-ray photoelectron spectroscopy (XPS) analysis, revealing that the pore size distribution and amount of OV and OC improve the charge transfer and HCHO adsorption of nanoparticle sensors. Such an effect of morphology control on sensing performance paves an idea for the development of different structure-based HCHO sensors.

Ultrasound enhances the removal of V5+ in wastewater by ball-milled zero-valent iron: Effects and mechanisms

Vanadium is considered to be a harmful industrial pollutant that poses a serious threat to health. In this study, the effect of ultrasonic-enhanced ball milling zero-valent iron removal of vanadium in wastewater was investigated and the basic mechanism of this process was elucidated. The results of the study confirmed that the ultrasonic intervention significantly accelerated the vanadium removal rate and greatly shortened the time required to achieve equilibrium. Under certain experimental conditions, the removal efficiency of vanadium under ultrasonic conditions is 99.1 %, which is 1.4 times higher than that of the traditional constant-temperature water bath device (70.86 %). Analytical techniques such as electron paramagnetic resonance (EPR) and ultraviolet (UV) spectroscopy have confirmed that ultrasonic-induced cavitation and microjet phenomena actively stimulate the formation of more H radicals and Fe2+. The key role of Fe2+ in the removal reaction was further explored and confirmed by a quenching experiment. Through fitting the experimental data of different isothermal adsorption models and reaction kinetics, it is concluded that the adsorption process conforms to the pseudo-second-order kinetics and the Langmuir isothermal model. The adsorption process is dominated by chemisorption, and the maximum adsorption capacity is 153.033 mg·g−1. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and other analyses show that under the action of ultrasonic waves, V5+ is rapidly reduced to its lower oxidation state through reduction within the first 10 min of the reaction. Secondly, as the reaction progresses and the pH value increases, electrostatic adsorption and coprecipitation are involved in the removal reaction.

Investigations towards nanoscale precise polishing of Nb3Sn thin films for SRF applications

The superconducting radio frequency performance of Nb3Sn is significantly impacted by its near-surface composition and nanostructure. In this study, an innovative polishing technique for Nb3Sn thin films with nanoscale precision is proposed. Systematic angle-resolved X-ray photoelectron spectroscopy (ARXPS) analysis reveal that the mechanism of this polishing process involves the formation of a few nanometer-thick oxide layer on the film's surface, followed by the uniform removal of the oxide layers with HF rinse. It is approximated that the polishing depth achieved in a single cycle can reach several nanometers. Advanced material characterization demonstrates that optimized polishing process effectively eliminates compulsive tin droplets and potential tin-rich phases with poor superconductivity generated on the surface during the preparation of Nb3Sn thin films. Simultaneously, no additional impurity phase will be formed on the surface, and the surface roughness will remain undamaged. Meanwhile, the results of magnetic and electrical analysis show that the superconducting properties of the polished films are not affected. This polishing technique is anticipated to ease the stringent coating conditions for the preparation of high-performance Nb3Sn thin film superconducting cavity, and will be a valuable addition to the post-treatment process of Nb3Sn thin films.

Influence of the Pd Oxidation State in PdNi Thin Films on Surface Acoustic Wave Hydrogen Sensing Performance.

PdNi alloy thin films demonstrate exceptional hydrogen sensing performance and exhibit significant potential for application in surface acoustic wave (SAW) hydrogen sensors. However, the long-term stability of SAW H2 sensors utilizing PdNi films as catalysts experiences a substantial decrease during operation. In this paper, X-ray photoelectron spectroscopy (XPS) is employed to investigate the failure mechanisms of PdNi thin films under operational conditions. The XPS analysis reveals that the formation of PdO species on PdNi thin films plays a crucial role in the failure of hydrogen sensing. Additionally, density functional theory (DFT) calculations indicate that hydrogen atoms encounter a diffusion energy barrier during the penetration process from the PdNiOx surface to the subsurface region. The identification of PdNi film failure mechanisms through XPS and DFT offers valuable insights into the development of gas sensors with enhanced long-term stability. Guided by these mechanisms, we propose a method to restore the hydrogen sensing response time and magnitude to a certain extent by reducing the partially oxidized surface of the PdNi alloy under a hydrogen atmosphere at 70 °C, thereby restoring Pd to its metallic state with zero valence.

Highly Efficient PtSn/Al2O3 and PtSnZnCa/Al2O3 Catalysts for Ethane Dehydrogenation: Influence of Catalyst Pretreatment Atmosphere

Increased demand for ethylene has motivated direct ethane dehydrogenation over Pt-based catalysts. PtSn/γ-Al2O3 and PtSnZnCa/γ-Al2O3 catalysts were investigated with the aim of understanding the effect of the pretreatment environment on the state of dispersed Pt for ethane dehydrogenation. The catalysts were prepared by the impregnation method and pretreated in different environments like static air (SA), flowing air (FA), and nitrogen (N2) atmospheres. A comprehensive characterization of the catalysts was performed using Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), Temperature-Programmed Reduction (TPR), NH3 Temperature-Programmed Desorption (NH3-TPD), X-ray photoelectron spectroscopy (XPS), and Transmission Electron Microscopy (TEM) techniques. The results reveal that the PtSn on Al2O3 catalyst pretreated in the static air environment (PtSn-SA) exhibits 21% ethylene yield with 95% selectivity at 625 °C. XPS analysis found more platinum and tin on the catalyst surface after static air treatment. The overall acidity of the catalysts decreased after thermal treatment in static air. Elemental mapping demonstrated that Pt agglomeration was pronounced in catalysts calcined under flowing air and nitrogen. These factors are responsible for the enhanced activity of the PtSn-SA catalyst compared to the other catalysts. The addition of Zn and Ca to the PtSn catalysts increases the yield of the catalyst calcined in static air (PtSnZnCa-SA). The PtSnZnCa-SA catalyst showed the highest ethylene yield of 27% with 99% selectivity and highly stable activity at 625 °C for 10 h.

Thermal properties of high-entropy fluorite (Zr0.2Hf0.2Pr0.2La0.2×0.2)O2-δ(X=Dy, Ho, Er, Y, Tm): A first-principles combined with experimental study investigating the influence of size and mass difference effect

The limited efficiency of traditional trial-and-error experiments has impeded the development and application of high-entropy fluorite oxides in thermal insulation coatings. To solve this problem, a novel entropy descriptor based on first principles is presented to help select candidate components for synthesizing high-entropy fluorite structure oxides. Results show that the compatibilities of 10 single-phase high-entropy fluorite oxides can be accurately predicted based on entropy formation ability. In the studied (Zr, Hf, Pr, La, X) O2-δ system, a correlation between thermal characteristics and size/mass differences was established by designing the size and mass of X. Specifically, we found that the thermal conductivity is more strongly correlated with the difference in atomic mass, while the coefficient of thermal expansion is strongly correlated with the difference in atomic size. X-ray photoelectron spectroscopy (XPS) analysis shows that the concentration of oxygen vacancy can effectively reduce the thermal conductivity of high-entropy fluorite oxides. In addition, the values of hardness, elastic modulus and thermal conductivity of five single-phase fluorite oxides are successfully predicted by first principles calculation, and the differences between these values and the experimental results are small, which provides a prospective significance for the performance prediction of high-entropy fluorite oxides. Our findings provide a strategy for customizing high-entropy fluorite single-phase oxides with suitable properties to meet the performance requirements of thermal barrier coatings (TBCs).

Investigation of hardness, tribological and adhesion properties of TiAlNiVN HEA films heat treated at different temperatures

TiAlNiVN high entropy alloy (HEA) films were firstly produced in the literature using the magnetron sputtering system. These films were subjected to heat treatments at different temperatures between 750 °C and 900 °C. Strong TiN and VN crystal structures were observed in all the annealed films. The composition of each element constituting TiAlNiVN HEA films was within a concentration range of 5–35 %. The presence of TiAlNiVN HEA films was confirmed by X-ray photoelectron spectroscopy (XPS) analysis. D-850 film had the highest hardness of 25.7 GPa and exhibited the lowest wear rate at 2.45 × 10−5 mm3/(N.m), attributable to its lowest surface roughness (0.22) and friction coefficient (0.44). Subsequent to the heat treatment, there was a substantial enhancement in the adhesion performance of the films, culminating in a high critical load value of 80 N. This study revealed that nitride-based TiAlNiVN HEA films could be enhanced in terms of hardness, tribological, and adhesion properties after heat treatment. Considering the adhesion performance, it is anticipated that the films we have produced will be a promising alternative to traditional nitride-based coatings in challenging and complex service conditions.