The primary challenge hindering widespread adoption of lithium (Li) anodes is the safety risks of short circuits owing to the penetration of Li whiskers, where their mechanical property plays a crucial role. However, measurement of the overall Young's modulus of individual Li whiskers with solid electrolyte interphase (SEI) remains elusive. Here, via an in situ electric-field-induced resonance method, the Young's modulus of individual electrochemically deposited Li whiskers along <211> is measured to be 3.2 ± 0.2 GPa in a transmission electron microscope, lower than that of pure Li metal, suggesting that hard short circuits induced by mechanical penetration are expected to have a low probability of occurrence. Quantitative analysis reveals that a simple linear combination of the Young's moduli of pure Li metal and the SEI, based on a linear mixed model, fails to account for the reduced Young's modulus. With the aid of atomic-level imaging and simulations, the lower value is ascribed to intricate interfacial microstructures, including highly-crystalline-Li|poorly-crystalline-Li, Li|Li2O, Li|organic, and others.

A tabletop setup for ultrafast x-ray ultraviolet (XUV) magnetic scattering and molecular spectroscopy has been developed at the Laboratory of Quantum Optics at the University of Nova Gorica. This system provides XUV light in a spectral range allowing the study of M-absorption edges in pure transition metals and their alloys, with a pulse duration of 35fs and a repetition rate of 5 kHz. The experimental setup is optimized for pump-probe XUV magneto-optics, with element selectivity. In addition, the chamber can operate to acquire harmonic spectra generated by selected molecular gases, enabling the investigation of strong-field photoinduced electron dynamics. This paper presents an overview of the setup, along with the results of demonstration experiments.

The possibility of determining the speciation of tantalum and niobium in various compounds (metallic Ta and Nb, TaH, NbH, Ta 2 O 5 , and Nb 2 O 5 ) using the ratio of the intensities of the characteristic emission lines of these elements was investigated. The «Spectroscan Max-GVM» commercial medium-resolution X-ray fluorescence spectrometer was used for experiment. Tantalum L -series lines in the range of 1000 – 1450 mÅ and niobium L -series lines (5000 – 5400 mÅ) were used to calculate the relative integral intensity. Since the difference in the ratios of characteristic emission lines intensities for different element speciation are small, special attention was paid to spectra processing for selection of smoothed line intensities in the spectral ranges chosen. The proposed approach allowed to distinguish Ta compounds using both the intensity ratios of high-lying/low-lying transitions and two low-lying transitions. It was also possible to distinguish all three of Ta speciation forms using the ratio of the most intense ( L β 2,15 / L β 1 ) lines of the L -series. In the case of Nb, it was possible to distinguish the oxide from the pure metal and its hydride by the ratio of Nb L γ 1 and Nb L β 3,4 intensities, however the proposed approad didn’t allow to distinguish the metal from its hydride. The proposed spectral recording mode is compatible with the mode used in the standard X-ray fluorescence analysis scheme, which, in principle, allows the determination of the elemental composition and form of presence of analytes in a single experiment.

Electrocatalysis presents a challenging frontier for our physico-chemical understanding of the surface morphology and catalytic properties of a material: synthesis methods eschew the typical thermodynamically stable facets of (111) in metals and (110) in rutile MO2, often featuring a mixture of facet families and core-shell architectures; in addition, reactions are mediated by surface environments related to the varying potentials of OER, pH, and electrolyte ions.1-4Catalysts expose a range of surface, heterogeneous morphologies due to the experimental processes of dissolution in the electrolyte, synthesis techniques, and passivation at higher potentials leading to a corresponding need to understand the catalytic changes at atomic and electronic levels of theory. Here, we show-case how understanding of the mechanisms available to pure materials e.g. Pt, IrO2, NiO can inform our manipulation of mixed-metal, -metal oxide materials to activate specific steps of electrolysis (hydrogen evolution, oxygen evolution).5-7 Catalyst architectures such as core-shell and doped-surfaces will be considered with particular attention paid to how different mechanisms and binding trends may change due to the complex, heterogeneous interface as compared to a pure material. In reality, electrolysis may involve many different pathways and a consideration of low-coverage and higher-coverage pathways involving adsorbate-adsorbate interactions may empower theoretical predictions to discover more active catalysts. Acknowledgments This work was supported by the U.S. Department of Energy (DOE), Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office (HFTO) under the auspices of the Electrocatalysis Consortium (ElectroCat 2.0). Argonne is managed for the U.S Department of Energy by the University of Chicago Argonne, LLC, under Contract DE-AC-02-06CH11357. This work was authored in part by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36–08GO28308.(1) Stamenkovic, V. R.; Fowler, B.; Mun, B. S.; Wang, G.; Ross, P. N.; Lucas, C. A.; Marković, N. M. Improved Oxygen Reduction Activity on Pt₃Ni(111) via Increased Surface Site Availability. Science 2007, 315 (5811), 493-497. DOI: doi:10.1126/science.1135941.(2) Stamenkovic, V. R.; Mun, B. S.; Arenz, M.; Mayrhofer, K. J. J.; Lucas, C. A.; Wang, G.; Ross, P. N.; Markovic, N. M. Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces. Nature Materials 2007, 6 (3), 241-247. DOI: 10.1038/nmat1840.(3) Alia, S. M.; Anderson, G. C. Iridium Oxygen Evolution Activity and Durability Baselines in Rotating Disk Electrode Half-Cells. Journal of The Electrochemical Society 2019, 166 (4), F282-F294.(4) Alia, S. M.; Ha, M.-A.; Anderson, G. C.; Ngo, C.; Pylypenko, S.; Larsen, R. E. The Roles of Oxide Growth and Sub-Surface Facets in Oxygen Evolution Activity of Iridium and Its Impact on Electrolysis. Journal of The Electrochemical Society 2019, 166 (15), F1243-F1252. DOI: 10.1149/2.0771915jes.(5) Ha, M.-A.; Alia, S. M.; Norman, A. G.; Miller, E. M. Fe-Doped Ni-Based Catalysts Surpass Ir-Baselines for Oxygen Evolution Due to Optimal Charge-Transfer Characteristics. ACS Cat. 2024, 17347-17359. DOI: 10.1021/acscatal.4c04489.(6) Ha, M.-A.; Larsen, R. E. Multiple Reaction Pathways for the Oxygen Evolution Reaction May Contribute to IrO2 (110)’s High Activity. Journal of The Electrochemical Society 2021, 168 (2), 024506.(7) Alia, S. M.; Ha, M.-A.; Ngo, C.; Anderson, G. C.; Ghoshal, S.; Pylypenko, S. Platinum–Nickel Nanowires with Improved Hydrogen Evolution Performance in Anion Exchange Membrane-Based Electrolysis. ACS Cat. 2020, 10 (17), 9953-9966. DOI: 10.1021/acscatal.0c01568. Figure 1. Schematic of the multitude of reaction networks that may be available to a system moving from a pure metal or oxide to a mixed-metal, -metal oxide interface. Figure 1

Despite the progress that has been achieved so far, all solid-state batteries (ASSBs) still suffer from low rate capability and specific energy due to various reasons. Meanwhile, it is essential that ASSBs reach 350 Wh/kg usable specific energy at practical discharge rate. Using a pseudo-2D ASSB full cell model that integrates a sub-model describing the contact area loss between anode and solid electrolyte separator, we analyze the effect of porosity, size of active materials particles, performance of anode, tortuosity, and volume fraction of catholyte to usable specific energy at finite rate, and quantify the design parameters in order to reach the goal of 350 Wh/kg usable specific energy at C/3 discharge rate. Using a Li alloy anode-LLZTO-composite cathode ASSB as an example, it is found that a combination of 10% porosity, 1μm diameter NMC active material particles, an anode with 4-times performance improvement related to voiding compared with pure Li metal anode, together with a low Bruggeman exponent (2.0) might achieve 350 Wh/kg usable specific energy at C/3 discharge rate at 1MPa stack pressure. Methods on how to achieve these design parameters are briefly discussed.

With a rapid development of electrical vehicles (EVs) and portable electronic devices, a battery with high energy density is needed. In order to reach this goal, Li metal, is considered as the most promising candidate as anode. However, the dendrite forming, low Coulombic efficiency, and unstable solid electrolyte interphase (SEI) pose big challenges in applying Li metal in lithium-ion and solid-state batteries. On the basis of better lithium regulating from MXene, I will present a reliable lithiophilic lithium metal by introducing a 2D hybrid coating that consists of a thin covalent organic framework (COF-1) modified MXene layer (COF-MXene-Li). The abundant lithiophilic boroxine sites on 2D COF-1 attract lithium ions while the MXene further regulates lithium homogeneous nucleation and growth, thus preventing dendrite formation. In parallel, due to the high electronic conductivity of MXene and high affinity of COF-1 to Li+, a thinner solid electrolyte interphase (SEI) layer with about 83% reduced organic layer thickness and 67% reduced inorganic layer thickness were obtained, which led to an improved battery capacity retention upon long cycling. The coin cell battery paired with LiNi0.8Mn0.1Co0.1O2 (NMC 811) as cathode material displayed 17% more capacity retention compared with pure lithium metal after 400 cycles at 0.5 C. Regarding to the high-capacity batteries, over 81.4% capacity retention along with 99.96% Coulombic efficiency (CE) of a 1.0 Ah pouch cell vs NCA after 250 cycles and over 82.6% capacity retention along with 99.59% CE of a 2.0 Ah pouch cell vs NCA after 150 cycles were respectively received. The assembled 1.6 Ah pouch cell with NMC811 showed an energy density up to 366.7 Wh/Kg and an actual energy density based on the whole cell up to 339.7 Wh/Kg. The improved cycling stability particularly in pouch cells open broad applications for this hybrid coating modified lithium metal as anode electrode in a variety of high-energy-density battery systems.

U.S. shale natural gas production has increased rapidly over the past 15 years, making light alkanes such as ethane and propane primary feedstocks for a wide range of chemical products. The activation of paraffinic C—H bonds in these alkanes is, in turn, a pivotal step in their conversion into value-added chemicals, typically achieved through energy-intensive thermal catalysis. In contrast, electrocatalytic C—H bond activation in voltage-driven reactors could be performed near room temperature with significantly less energy input. Making the electrochemical approach practical, however, requires improved electrocatalysts, which can be most efficiently developed by leveraging insights from fundamental mechanistic studies of electrocatalytic dehydrogenation reaction. To provide such insights, we perform density functional theory (DFT) calculations on platinum surfaces to identify molecular-level pathways of electrocatalytic propane activation.In our work, we aim to address the following questions: (i) What is the dependence of reaction conditions, such as pH and potential, on propane activation? (ii) What does the propane-derived adsorbate look like under electrochemical conditions? (iii) What is a suitable catalyst for selective propane activation? To begin, we investigate the dissociative adsorption of propane to yield 2-propyl species and hydrogen on the Pt(111) surface. Our calculations reveal that the H* adatom coverage as a function of potential is consistent with the known phenomenon of underpotential deposition of hydrogen (HUPD) on platinum, where the potentials lower than 0.25 V vs RHE favor adsorption of H+ ions as H* adatoms. Furthermore, the binding of 2-propyl, which is simulated on the top site of platinum atoms at different H* coverages, becomes stronger as the coverage of H* decreases, i.e., at potentials close to 0.30 V vs RHE (see Figure a). These calculations confirm that the potential dependence of oxidation of H*, either dissociated from propane or derived from water, indeed modulates the propane coverage at potentials between 0.00 to 0.30 V vs RHE, providing a compelling explanation for the experimental results concerning dissociative propane adsorption observed by our collaborators.We additionally investigate the relative stability of C3Hx intermediates on Pt(111) and Pt(211) surfaces. We conduct a comprehensive analysis of the binding for all possible isomers of each species. Given the complexity in analyzing all dehydrogenation pathways, we focus our analysis on a selected elementary pathway for total dehydrogenation of propane species based on the most stable isomers on both Pt(111) and Pt(211) surfaces, where the adsorption of H* adatom is the sole faradaic step. We then develop a time-dependent microkinetic model to analyze steady-state coverages of adsorbed hydrocarbon species on platinum surfaces. The model indicates that lower free energy of the species can serve as a proxy for higher surface coverage. This, in turn, predicts the presence of deeply dehydrogenation species at room temperature and 0.30 V vs RHE, as shown in Figure b and c. Furthermore, activation barrier calculations for deeply dehydrogenation species suggest that C—H bond scissions is moderately energetically favorable compared to C—C bond cleavage. The aggregate results imply that dehydrogenation intermediates will accumulate on the surface with minimal C—C bond breaking. These findings are corroborated by experimental data from collaborators, who observe the presence of stable deeply dehydrogenation species.Finally, we examine the stability of bulk Pt-based alloys, which are primarily utilized in the thermal propane dehydrogenation reaction to improve selectivity towards propylene formation. Our collaborators show propane adsorption occurs at positive potentials on the RHE scale, necessitating the stability of alloys at potentials greater that zero. According to the electrochemical series, amongst relevant pure metals, only Cu, Ag, and Au exhibit positive dissolution potentials on the RHE scale. Additionally, our analysis of other metals commonly alloyed with platinum in thermal chemistry reveal that the Pt-Sn alloy also show a positive dissolution potential for Sn atoms. Consequently, we conclude Cu, Ag, Au, and Sn are the alloying metals warranting further exploration for the propane dehydrogenation reaction under electrochemical conditions.In conclusion, this study elucidates molecular-level mechanistic aspects of electrochemical propane dehydrogenation, representing a first step towards the ultimate development of low-temperature electrocatalytic alkene production. Figure 1

Protein phosphorylation is a dynamic post-translational modification that regulates fundamental processes, including signal transduction, cell proliferation, differentiation, and effector function of immune cells. The Janus Kinase/Signal Transducer and Activator of Transcription (JAK/STAT) pathway is a key mediator of cytokine responses, essential for maintaining immune cell homeostasis and determining cell fate across diverse immune subsets. Dysregulation of JAK/STAT signaling has been linked to a broad spectrum of pathologies, including monogenic immune disorders, autoimmunity, and cancer. Platforms facilitating single-cell analysis of protein phosphorylation offer the ability to reveal subtle signaling defects and dissect the pleiotropy in cellular composition and phosphorylation status, providing insights into immune phenotype and function, while identifying potential therapeutic targets. While an application of cytometry-by-time-of-flight, termed phospho-CyTOF, has proven invaluable for studying protein phosphorylation in cryopreserved peripheral blood mononuclear cells (cPBMCs), its application is limited by cell loss and signaling artifacts stemming from isolation and cryopreservation. Conversely, whole blood (WB) approaches, preserving the native immune cell composition and signaling context, offer a more physiological representation but necessitate robust and consistent protocols for broad application. Herein, we present optimized dual phospho-CyTOF workflows tailored for both cPBMCs and whole blood, building upon established protocols for cytokine stimulation of both samples. These workflows facilitate comprehensive, high-dimensional profiling of JAK/STAT signaling in response to pleiotropic cytokines such as Type I interferons (IFN-α), Type II interferons (IFN-γ), and Interleukin-21 (IL-21). By leveraging CyTOF's capacity for high-dimensional profiling using pure heavy metal–labeled antibodies, these protocols aim to identify pathway-specific alterations in STAT phosphorylation across major immune subsets that may be overlooked by traditional flow cytometry. Together, these optimized dual workflows provide scalable, translationally relevant tools for dissecting the subtle and differential JAK/STAT-driven immune responses in both clinical and research settings, while also being compatible with the simultaneous assessment of crosstalk with alternative immune cell signaling pathways.Key features• This method enables multiplexed detection of 20 surface markers and STAT phosphorylation to resolve subsets and interrogate diverse JAK/STAT signaling.• Whole blood workflow supports rapid “vein-to-tube” processing and fixation, preserving native signaling, immune cell composition, and fragile myeloid subsets.• Designed for users with CyTOF expertise who are proficient in cytometry workflows involving surface and intracellular staining, fixation, and phospho-epitope preservation across immune subsets.• Applicable to clinical immunomonitoring, pharmacodynamic studies (i.e., JAK inhibitors), and biomarker discovery in immune dysregulation.

For an efficient confrontation of the exhaustion of nonrenewable energy sources issue, the storage of hydrogen as an eco-friendly and renewable alternative energy source has received considerable attention. Herein, the performance of pure and group 2B transition metal-doped metal oxide nanocages (M12O12 and TM-M11O12; where M = Zn, Mg, and Be; TM = Zn, Cd, and Hg) as single-atom catalysts for the hydrogen dissociation reaction (HDR) was investigated using DFT calculations. Regarding step-I of the HDR, all the investigated catalysts exhibited remarkable potentiality to adsorb the H2 molecule with negative BSSE-corrected adsorption energy values up to −5.22 kcal mol−1. In step-II, further activation for the H2 molecule over the surface of the M12O12 and TM-M11O12 catalysts occurred, and hence the transition state (TS) structure was obtained. Upon the energetic results, the Zn12O12-based catalysts exhibited higher performance toward the HDR compared to the Mg12O12- and Be12O12-based candidates. Furthermore, the Cd-Zn11O12 catalyst demonstrated the most promising catalytic activity with an activation energy of 9.58 kcal mol−1 for the H2⋯Cd-Zn11O12 complex. In step-III, one of two activated H atoms (H1) shifted to the Zn atom, whereas the other hydrogen atom (H2) migrated to the O atom. Analysis of natural bond orbitals and electron density difference outlined the charge transfer from M/TM atoms to their interacting hydrogen atom (H1) and from the O atom to the corresponding hydrogen atom (H2). Quantum theory of atoms in molecules outcomes demonstrated the partial covalent nature of the interactions within the TS structures, pinpointing the optimum catalytic efficiency. The obtained results will provide a comprehensive picture of the behavior of metal oxide-based SACs for HDR catalysis, and hence their performance for the hydrogen storage process.

Abstract The Cu cathode has great potential due to its low cost and high capacity. However, the limited ionic conductivity of the electrolyte for Cu ions and poor solubility of Cu species severely hinder the rapid development of Li–Cu batteries. Herein, we synthesized a Cu + halide solid electrolyte (Cu 2 ZrCl 6 , CZC) by mechanochemical method, which exhibited a high room‐temperature Cu + conductivity (about 14 mS cm −1 ) and high solubility of Cu species. The Cu||CZC||Cu symmetric battery demonstrated the ability to maintain stable Cu + plating/stripping over 1000 h at 0.1 mA cm −2 . We further constructed a model of the synergistic migration and ion exchange of Cu + and Li + in CZC and Li 2 ZrCl 6 electrolytes. Based on this, we assembled the first all‐solid‐state lithium–copper battery (ASSLCB), which delivered a high reversible specific capacity of 360 mAh g −1 (1.7–3.8 V versus Li⁺/Li, at 37 mA g −1 ) and exhibited outstanding cycling performance across 50 cycles at a current of 62.5 mA g −1 . Additionally, we designed a cathode‐free ASSLCB, utilizing aluminum foil as the current collector to demonstrate the deposition and dissolution of pure copper metal. This study provides a new design concept for Cu + conductors and lays a foundation for the future research of ASSLCBs.

The Cu cathode has great potential due to its low cost and high capacity. However, the limited ionic conductivity of the electrolyte for Cu ions and poor solubility of Cu species severely hinder the rapid development of Li-Cu batteries. Herein, we synthesized a Cu+ halide solid electrolyte (Cu2ZrCl6, CZC) by mechanochemical method, which exhibited a high room-temperature Cu+ conductivity (about 14 mS cm-1) and high solubility of Cu species. The Cu||CZC||Cu symmetric battery demonstrated the ability to maintain stable Cu+ plating/stripping over 1000 h at 0.1mA cm-2. We further constructed a model of the synergistic migration and ion exchange of Cu+ and Li+ in CZC and Li2ZrCl6 electrolytes. Based on this, we assembled the first all-solid-state lithium-copper battery (ASSLCB), which delivered a high reversible specific capacity of 360 mAh g-1 (1.7-3.8V versus Li⁺/Li, at 37mA g-1) and exhibited outstanding cycling performance across 50 cycles at a current of 62.5mA g-1. Additionally, we designed a cathode-free ASSLCB, utilizing aluminum foil as the current collector to demonstrate the deposition and dissolution of pure copper metal. This study provides a new design concept for Cu+ conductors and lays a foundation for the future research of ASSLCBs.

Single crystals of hexagonal BN have been grown from solutions on the surface of Ni-Cr and pure Ni metals under a pressure of N2 gas of 1000-1500 bar. The transparent and colorless hBN crystals obtained in this study exhibited high structural quality and uniformity as confirmed by micro-Raman mapping, showing less than 8 cm-1 widths of the high-frequency E2g Raman peaks corresponding to the intralayer vibrations of the B and N atoms in hBN. Optical absorption measurements indicated the indirect character of electronic transitions in bulk hBN. Due to the solubility of nitrogen increased by a factor of 30-40 by compression, it was possible to grow significantly thicker (up to 30 μm) hBN crystals from pure Ni solvent than by a similar approach at atmospheric pressure. The addition of chromium to the solution seriously disrupted the hBN crystallization process, as at elevated N2 pressure efficient synthesis of CrN occurred at the same time. The results of the crystallization experiments are discussed in the context of the thermodynamic properties of III-N compounds and the effect of the metal solvent on the conditions of thermal stability of BN concerning its components. To further assess the quality of the crystals and evaluate their potential for applications, thin flakes exfoliated from the grown hBN crystals were applied in graphene-based devices. Remarkably high carrier mobility, exceeding 21.2 m2·V-1·s-1 at 230 K for both electrons and holes, was observed in magnetotransport studies on hBN-encapsulated graphene transistors.

Compared to pure metals, metal sulfides offer cost-effectiveness and high product selectivity. And the sulfur vacancies (VS) introduced in sulfides can serve as active sites and promote CO2 adsorption and activation. Therefore, using a chitosan-derived carbon aerogel (CA) as the support, its surface is modified with polypyrrole (PPy). The surface-bound PPy induces VS generation in the loaded Ag2S, resulting in a VS-rich, highly active catalyst: Ag2S/PPy/CA. The presence of VS significantly increases the electrochemically active surface area (ECSA). The catalyst exhibits high catalytic activity and CO selectivity across a broad potential range of -0.9--1.2V (vs RHE), achieving a maximum Faradaic efficiency for CO (FECO) of 94.5%. Experimental results demonstrate that VS reduces electrochemical impedance, significantly increases current density, and, together with the 3D porous CA network, substantially weakens mass-transfer limitations, thus improving catalytic efficiency. The intrinsically hydrophobic CA and PPy jointly regulate the hydrophobicity of Ag2S/PPy/CA. It maintains a highly hydrophobic state before and after the catalytic reaction, indicating excellent stability. Furthermore, the stable hydrophobicity is verified in a flow cell to enhance the catalytic performance, demonstrating high catalytic activity even at high current densities. Mechanistic studies reveal that VS promotes electron gain by the *COOH intermediate to form *CO, directing more electrons toward the CO2 reduction reaction, thereby enhancing catalytic activity.

The presented article focuses on the possibilities of using microwave energy in the treatment of flue dust originating from the production of steel in EAF, as well as flue dust arising in the hot-dip galvanizing process of steel. The mentioned types of waste in the form of flue dust contain significant amounts of zinc (22-43%) and iron (0.6-30%), which could be reused after heat treatment in the sense of a circular economy. Since zinc is also found in the mentioned wastes in the form of a stable spinel structure of franklinite (ZnFe2O4), its treatment through microwave roasting in the presence of suitable susceptors of electromagnetic radiation is a prospective method of obtaining pure metals. The advantage of microwave processing is the volumetric nature of the heating, the faster course of carbothermic reactions and the sufficiently lower temperature of the waste treatment compared to conventional heating.

Abstract The well-known 16 O(α, α) 16 O resonance can significantly enhance the sensitivity of oxygen analysis when using Rutherford backscattering spectrometry. However, to ensure accurate results, it is first necessary to accurately determine the oxygen signal enhancement factor by utilizing a standard sample. One approach is to prepare a two-phase thin film comprising a pure metal combined with the oxide of a different metal, following which the oxygen concentration in the film can be determined from the ratio of the two metals. In the study, a Ni+Yb 2 O 3 thin film containing approximately 10 at% oxygen was prepared as a standard sample, and the enhancement factor was calculated. Based on this value, the C Cr / C O ratio in a Cr–N–O thin film was accurately determined as a demonstration of accurate oxygen quantification. These results confirm that the accurate quantification of oxygen can be achieved using this technique even in thin films with relatively low oxygen contents.

High-entropy alloys (HEAs) combine five or more elements in near-equiatomic ratios, opening an immense compositional space whose optical behaviour is still largely unknown. Phase-modulated ellipsometry on bulk CrMnFeCoNi (Cantor) shows that its intrinsic optical constants, n, k, ε1 and ε2, deviate strongly from the arithmetic means of the constituent elements-by up to a factor of two beyond 1 μm-yet the derived functional responses, reflectance R and absorption coefficient α, are reproduced to within ∼20%. Cantor nanoparticles have been produced by nanosecond electric discharges in liquid nitrogen. Dark-field spectroscopy and Mie calculations reveal a dominant scattering mode near 100 nm that red-shifts and broadens with increasing size; the steady-state photothermal rise calculated from the absorption cross-section σabs falls between those of the constituent pure metals. Generalising the averaging rule, we compute proxy values of R and α for 10 994 density-functional-theory-predicted HEAs. Successive optical, thermal and resource filters condense the space to 58 candidates at 355 nm and eight refractory alloys at 1064 nm, illustrating a "sustainable-by-design" route for future HEA photonics.

Single-atom catalysts (SACs) offer a transformative strategy for propane dehydrogenation (PDH) by maximizing atom efficiency and enabling precise active-site control. Their performance, however, is intrinsically linked to the electronic properties of the support. This study reveals the essential role of the ligand field in determining the stability and activity of SACs supported on V3C2O2 MXene. We demonstrate that the ligand field lifts the degeneracy of metal d-orbitals, and a strong field induces a large splitting energy, which minimizes the HOMO-LUMO gap. This electronic modulation strengthens the SAC binding and enhances catalytic activity, yielding significantly lower C-H activation barriers compared with conventional metal surfaces. The reaction pathway involving the coadsorption of a propyl fragment and a hydrogen atom at the pure metal site (P3) outperforms those on mixed metal-oxygen (P2) or pure oxygen (P1) sites. Catalyst regeneration via hydrogen desorption proceeds most readily through homolytic coupling, is moderately challenging via heterolytic recombination, and is most difficult through dihydrogen formation. Pt-SAC exhibits superior stability and the lowest energy barriers among all systems owing to its pronounced d-orbital splitting and narrow frontier orbital gap. These insights establish V3C2O2-supported SACs as a versatile platform for PDH, in which crystal field-mediated frontier orbital interactions enable the fine-tuned regulation of reactivity from C-H activation to hydrogen desorption.

ABSTRACT This study reveals the hydro physical mechanism of hydro-vacuum, shockwave and cavitation-pulsation counter gravity flotational extraction of non-metallic micro inclusions inherent in the liquid high-entropy alloy CoCrFeNiMn (HEA) obtained by an original method of combined induction remelting of low- and carbon-free ferroalloys with an elevated content of target metals. The effectiveness of the hydro-vacuum technology of vertical suction, confuser-convective acceleration, and diffusion-hydro mechanical dispersion of an upward flow of molten metal superheated by 100–150 °C is theoretically substantiated and experimentally proven. It has been established that vortex-like radial twisting of tangentially directed cavitation currents in the thrust-forming high-speed annular flow of water-liquid-metal pulp formed in the process of counter-gravity acceleration, with subsequent asymmetric slamming of the caverns formed in it, is the main conditioning factor for generation of ultra-frequency shock waves of rarefaction and flotational supplanting of relatively light nonmetallic inclusions from atomised drop-liquid particles of HEA. The powder obtained by the proposed method, by its purity 98.7–99.4% and hardness 250–300 HV0.5, is practically identical to similar high-entropy materials synthesis,ed from pure metals. The findings can contribute to stimulating the development of the proposed cost-effective and easily scalable approach to the production and cleaning of HEAs of different systems.

Supercapacitors (SCs) are crucial for meeting the growing demand for energy. The development of next-generation SCs still depends on the evolution of high-performance electrode materials. Compared with single component metal oxides, ternary metal oxides (TMOs) offer multiple oxidation states and superior supercapacitive performance. The rational design and doping of complex metal oxides offer a powerful strategy to overcome the performance limitations of supercapacitors (SCs). This work presents pure and Mo-doped ZnV2O4 ternary metal oxides (Mo-TMOs) with tailored nanostructures synthesized by a hydrothermal method to optimize the electrochemical performance for SC applications. The synthesized materials were used for assembling a symmetric SC device. Comprehensive structural and morphological analyses confirm a uniform Mo distribution and the formation of highly interconnected nanostructures that promote rapid ion diffusion and electron transport. The prepared ZnV2O4 and ZnV0.98Mo0.02O2 deliver excellent specific capacitances of 697.14 F g−1 and 752.08 F g−1 at 5 mV s−1, respectively. The fabricated device possesses a high energy density of 34.85 Wh kg−1 at a power density of 313.71 W kg−1 for ZnV2O4 and 37.60 Wh kg−1 at a power density of 323.08 W kg−1 for the ZnV0.98Mo0.02O2 sample. Both samples possess high BET surface areas of 77.25 and 100.42 m2 g−1. Moreover, the fabricated device exhibits excellent cyclic stability of 96.1% for the pure sample and 97.2% for the Mo-doped sample at 5 A g−1 after 10 000 cycles. Incorporation of Mo into the ternary oxide framework successfully tunes the electronic conductivity, increases the redox activity and enhances the structural stability, indicating promising SC performances for future prospects.

This review presents the main results on the synthesis and study of quasicrystalline samples of the Ti-Zr-Ni system. The research was conducted over a number of years in Kharkiv by a team of researchers from the National Science Center “Kharkiv Institute of Physics and Technology”, Kharkiv State University named after V.N. Karazin and NTU KhPI and was headed by the outstanding scientist, academician V.M. Azhazha. Many of the results obtained became priorities. Such research became possible thanks to the experience and developments of the current Department of Pure Metals, Metal Physics and Technology of New Materials at NSC KIPT. The results of fruitful cooperation between the teams are reflected in this review. It is dedicated to the bright memory of Academician Vladimir Mikhailovich Azhazha, as well as Prof. Merisov B.A., Prof. Pugachov A.T. and Dr. Lavrinenko S.D.