Hollow noble metal nanostructures have broad applications in catalysis and other fields. Herein, we report that Ag@metal (Ag@M, M = Ru, Os, Ir, Pt, PtRu, PtRuOs) core@shell nanoparticles synthesized in oleylamine can transform into hollow AgM alloy nanoparticles via prolonged heating. The structural evolution mechanism is attributed to the Kirkendall effect, driven by unbalanced interdiffusion of Ag and M atoms: Ag atoms (with higher mobility) diffuse from the core to the shell more rapidly than M atoms, inducing vacancy flow and interface shift, ultimately forming hollow alloys with slightly reduced particle sizes. X-ray photoelectron spectroscopy reveals binding energy shifts of Ag and Pt in hollow AgPt alloys due to electronegativity differences. Electrochemical tests show that despite the lower electrochemically active surface area of hollow AgPt alloys caused by Ag-induced Pt dilution, their methanol oxidation reaction activity and onset potential are comparable to the core-shell precursors. This is because the ensemble effect from Ag-Pt alloying weakens CO adsorption on Pt sites, offsetting the dilution-induced negative effect. This study provides insights for designing efficient Ag-based nanoalloy electrocatalysts.
The present study investigates the performance and mechanism of nitrogen-doped carbon-based catalysts in selective catalytic reduction (SCR) reactions for removing nitrogen oxides (NOx) through a combination of experiments and density functional theory (DFT) calculations. A series of catalysts with a gradient distribution of nitrogen content were prepared, and the types, contents, and structural characteristics of their nitrogen-containing functional groups were characterised. The experimental findings demonstrated that with an increase in nitrogen content, there was an initial rise and subsequent decrease in NO conversion among the catalysts. The AC-N-3 catalyst exhibited the highest NO conversion, with an observed value of 83.0 %. DFT calculations revealed that nitrogen doping enhanced the adsorption capacity of the catalysts for NO and O2 through the introduction of functional groups. The active centre is located at the nitrogen functional group and its adjacent carbon atom. The centre of the molecule is responsible for driving the charge migration process, which in turn causes a stretching of the bond length of the reactants. This effect leads to the efficient pre-activation of the reactants, thereby significantly enhancing their catalytic activity. Through the analysis of the NH3-SCR reaction pathway, the fundamental steps of the reaction were presented in a comprehensible manner.
Fabricating TiO2 nanotube hydrogen sensors via anodic oxidation of sputtered Ti films on Si wafers enhances stability and facilitates integration/miniaturization. However, these sensors exhibit lower room-temperature responses compared to counterparts derived from anodized Ti thin sheets. In this work, Pt/TiO2/Ti sensors incorporating an unoxidized Ti film at the nanotube base and Pt/TiO2 sensors with completely oxidized Ti foil were fabricated on SiO2/Si substrates through magnetron sputtering and anodic oxidation. The Pt/TiO2/Ti sensor exhibited a response of 5.3 × 106 toward 200 ppm H2 at room temperature - four orders of magnitude higher than the Pt/TiO2 counterpart. Through SEM, Hall measurements, and I-V analysis, this enhancement is attributed to significantly reduced charge transfer resistance between Pt interdigitated electrodes (IDEs) due to the conductive Ti film in Pt/TiO2/Ti devices. The modulating effect of the Ti film on carrier transport pathways becomes more pronounced at lower operating temperatures. This study provides a straightforward yet effective approach for developing high-responsivity TiO2 nanotube hydrogen sensors on silicon wafers.
In this paper, atomic simulation of the thermomechanical fatigue (TMF) behavior of Ni-based single crystal superalloys has been achieved, and the effect of Rhenium (Re) on the TMF properties are studied by molecular dynamics (MD) simulation. The reasons why 3%Re improving TMF properties of superalloys are explained from an atomic perspective. The results show that adding 3%Re to the superalloys can increase the cyclic stress amplitude and plastic deformation resistance, reduce the dislocation density and plastic strain energy density, and thereby improve the fatigue life of superalloys. The microstructure evolution reveals that the improvement of TMF properties in superalloys mainly depends on the pinning and dragging effects of Re on dislocation motion. Due to the pinning and dragging effects of Re, the stability of microstructure is significantly enhanced, leading to a reduction in plastic deformation and thus improving the TMF mechanical properties and fatigue life of superalloys. The research results will contribute to a deeper understanding of the TMF mechanisms and Re effects of superalloys.
The urgent need for high-performance energy storage devices has been driving the quest for superior battery-type electrode materials for hybrid supercapacitors (HSCs), however the relevant synthesis methods are usually tedious and poorly affordable. In this paper, a two-step route was elaborated to prepare Ni, Co hydroxide/N-doped porous carbon (NixCo1-x(OH)2/NPC) nanocomposites for hybrid supercapacitors. NPC with unique three-dimensional interconnected porous structure was obtained by HIPE high internal phase emulsion (HIPE) polymerization with subsequent pyrolysis. The NPC can act not only as a conductive network providing abundant accessible area and convenient charge transfer routes, but also as an anchoring platform for NixCo1-x(OH)2 growth via chemical bath deposition (CBD) without agglomeration. By tuning Ni2+/Co2+ ratio, the optimized NixCo1-x(OH)2/NPC nanocomposite exhibited excellent electrochemical performance with a capacity of 1392 F g-1 at 1 A g-1 in 6 M KOH solution. Furthermore, coupling with an activated NPC anode, the assembled hybrid supercapacitor possessed an appreciable energy density of 118.9 Wh kg-1 at 400.0 W kg-1 and a capacitance retention ratio of 80.7 % after 5000 charge-discharge cycles, showing considerable application prospects. This work provides new inspirations for the reasonable design and optimization of new electrode materials for first-rate hybrid supercapacitors.
Fast-charging sodium-ion batteries are severely constrained by sluggish Na+ diffusion, structural instability, and rapid capacity fading in layered anodes, representing a major challenge for high-power energy storage applications. Here, a Co and Se co-doping strategy is implemented on MoS2 (Co-MoS1.8Se0.2/C) to stabilize the metallic 1T-like phase, expand interlayer spacing, and introduce abundant defect sites, generating additional redox-active centers that facilitate rapid and reversible Na+ insertion and extraction. Cobalt doping serves as a catalytic regulator, promoting uniform SEI formation and enhancing interfacial stability, whereas selenium doping reduces Na+ diffusion barriers and alleviates strain induced by volumetric changes. A conductive carbon framework supports the nanosheet structure, prevents restacking, and buffers mechanical stress, ensuring structural integrity during extreme-rate cycling. The Co-MoS1.8Se0.2/C electrode achieves a reversible capacity of 250 mAh g-1 at 20 A g-1, corresponding to full charge/discharge in approximately 15 s, and maintains long-term cycling stability over 1400 cycles at 5 A g-1. Structural analyses reveal partial electron transfer from Co and Se to Mo upon intercalation, triggering reorganization of Mo 4d orbitals and inducing a spontaneous 2H-to-1T phase transition, which enhances electrical conductivity. Reversible layered-to-metallic transformation occurs alongside the formation of a stable SEI layer, further promoting electrochemical kinetics and interfacial stability. The synergistic integration of dual-element doping and carbon framework design significantly improves structural robustness and sodium storage performance.
Arsenic pollution in water poses a significant environmental challenge due to its high toxicity and non-degradability. In this study, FeMn-layered double hydroxide (FeMn-LDH) was synthesized using hydrothermal and coprecipitation methods with different precursors for electrochemical arsenic remediation. The crystallinity of FeMn-LDH was enhanced with nitrate precursor compared to chloride precursor. The corresponding calcined layered double oxide obtained through the coprecipitation method (FMO-NO3-Co) exhibits a significantly increased specific surface area and an optimal average pore size, facilitating efficient ion transport, and enhanced oxidation state of Mn, increasing arsenic removal efficiency. Electrochemical tests indicate that FMH-NO3-Co exhibits relatively high specific capacitance and excellent electrochemical performance. Notably, the FMO-NO3-Co achieves an electrosorption capacity of 55.5 mg g-1 with 56.6 % of As(Ⅲ) being electrochemically oxidized, demonstrating superior electrocatalytic activity for the oxidation of As(Ⅲ) and high-performance electrosorption of As(V). The arsenic removal mechanism was comprehensively analyzed, revealing that Mn2+/Mn3+ redox cycling played a key role in As(Ⅲ) oxidation, while Fe-based coordination sites contributed to As(V) adsorption. Furthermore, the enhanced porosity and conductivity of the calcined LDH materials significantly improved charge transfer efficiency, thereby accelerating the arsenic removal process. Overall, this study provides valuable insights into the potential application of FeMn-LDH in electrochemical arsenic remediation.
Data-centric materials informatics has become a transformative paradigm for accelerating the discovery and design of superalloys, particularly by enabling efficient prediction of properties that are experimentally inaccessible or computationally intractable due to constraints in cost, time, or complexity. By harnessing the ability of machine learning (ML) to model complex, nonlinear, and high-dimensional relationships, this approach provides a compelling alternative to traditional trial-and-error and simulation-based strategies. This review presents a comprehensive and critical assessment of recent advances in ML for superalloys. We first delineate the essential workflow for ML-enabled superalloy design, encompassing foundational data resources, quantitative assessments of data quality, feature descriptors and feature-selection strategies, representative algorithms tailored to small and heterogeneous datasets, rigorous model-evaluation protocols, and model interpretation through explainable ML and symbolic regression. We then summarize state-of-the-art ML applications targeting specific high-temperature performance metrics, particularly γ' phase stability, creep behavior, fatigue life, and oxidation resistance, and highlight how approaches such as multi-fidelity learning, data augmentation, transfer learning, and optimization algorithms facilitate efficient exploration of vast composition-processing design spaces. Finally, we discuss persisting challenges and emerging opportunities, including data scarcity and reliability, model confidence and uncertainty quantification, cross-system generalizability across Co-, Ni-, and multi-principal superalloys, high-dimensional multi-objective optimization, and the integration of physics-informed models and large language models into materials-informatics workflows. By synthesizing these developments, this review outlines a strategic roadmap for harnessing ML to accelerate the discovery, performance optimization, and intelligent design of next-generation superalloys.
tensile twins were introduced by pre-compressing the rolled AZ31 Mg alloy sheet along the transverse direction (TD) with a strain of 3 %, aiming to investigate the effect of pre-existing twins on its bending deformation behavior. For the AZ31 Mg alloy, the pre-existing
tensile twins significantly improved the mechanical properties, the tension-compression yield asymmetry coefficient (0.57 vs. 0.35), and the bending property (bend angle: 97° vs. 65°). The pre-existing
twins led to the deflection of the c-axis of the grains, thus modifying the strong (0001) basal texture, which improved the tension-compression yield asymmetry, making the strain distribution during the bending process in each region of the specimen more uniform. The basal slip caused by grain deflection on the rolling direction (RD)-normal direction (ND) plane increased the thickness-direction strain of the specimen during the bending deformation process. Moreover, the introduction of a large number of twin lamellae effectively subdivided and refined the grains, enhancing the plastic deformation ability of the specimen. In summary, these factors led to a significant improvement in the bending formability of the AZ31 Mg alloy.
CdS thin films were fabricated by annealing precursors which were deposited using the method of Sputtering, Evaporation and Sputtering (SES). Effect of sputtering time and RF power on the structural, compositional, surface morphology and optical properties of CdS thin films was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersion spectrometer (EDS), UV-Vis spectrophotometer and photoluminescence (PL). The results reveal that the properties and growth of the obtained CdS films are greatly influenced by the second sputtering time rather than the first sputtering time. The deposited precursors are substrate/Cd/CdS, and transformed to CdS after annealing. The CdS films are hexagonal structure with a preferred orientation along (002) plane. Besides, the dense CdS films without cracks or pinholes have S/Cd atomic ratios of 0.87-0.99. Additionally, the grain size, morphology and composition of CdS films change with increasing RF power from 80 W to 150 W. All CdS films have a high average transmittance and band gaps of 2.25-2.43 eV. The PL emission peaks at 530 nm for CdS thin films are possibly caused by the band edge emission while the PL emission peaks at 680 nm arise from sulfur vacancies.