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The Li2CrVSi2 and Li2CrVGe2 DHH alloys are half-metallic ferromagnetic materials with band gaps of 0.7274 eV and 0.7989 eV. In the equilibrium lattice parameter values, the c/a ratio is 2. The alloys' total magnetic moments are 10.0 μB/f.u. The Debye temperatures are 376.801 K and 300.322 K. The formation energy values are -2.883 eV and -4.514 eV, while the cohesive energy values are -8.009 eV and -7.581 eV. These results support structural stability. The Curie temperatures of the Li2CrVSi2 and Li2CrVGe2 DHH alloys are 1349.68 K and 863.39 K. The maximum R(0) and n(0) values are 0.745, 0.743, 12.915, and 12.826, respectively. The extinction coefficient values are 2.565 and 2.466. The bulk modulus of the Li2CrVSi2 and Li2CrVGe2 are 64.2823 GPa and 59.9899 GPa. The maximum heat capacities are 293.699 J/mol.K and 296.787 J/mol.K. Electronic, optical, and thermodynamic properties indicate that the Li2CrVSi2 and Li2CrVGe2 DHH alloys are highly suitable materials for spintronic and optoelectronic technologies. Calculations were performed using the Wien2k program. The GGA + PBE and GGA + mBJ methods were used for electronic properties. Elastic calculations were done with IRElast software. For optical calculations, the photon energy range was selected as 0-10 eV. Thermodynamic calculations were also performed using the Gibbs2 code. Here, the temperatures and pressure were set to 0-1000 K and 0-10 GPa.

In this study, we investigate the structural, electronic, magnetic, and elastic properties of quaternary Heusler alloys FeZrTiX (X = Al, Si) using first-principles calculations based on density functional theory (DFT). The pressure-dependent behavior of these compounds is explored over the range of 0-50 GPa to evaluate their potential for spintronic applications. Our results reveal that the band gap of FeZrTiAl decreases with increasing pressure, while FeZrTiSi exhibits half-metallic behavior beyond 20 GPa-an essential trait for spintronic devices due to the emergence of 100% spin polarization. The total magnetic moment shows minimal variation under pressure, indicating robust and stable magnetic ordering. The elastic constants remain positive throughout the applied pressure range and satisfy the Born mechanical stability criteria, confirming mechanical integrity. Additionally, the Debye temperature increases with pressure, suggesting enhanced lattice stiffness. To complement the DFT insights, machine learning (ML) approaches were employed to predict the scalar band gap of FeZrTiAl and FeZrTiSi. ML models demonstrated good predictive performance as evaluated by the coefficient of determination (R2) and root mean square error (RMSE), capturing trends consistent with DFT calculations. As expected for spin-polarized half-metallic systems, ML predicted scalar band gaps were lower than DFT spin-resolved band gaps, reflecting averaging over spin channels by the models. These combined first-principles and ML results demonstrate that FeZrTiAl and FeZrTiSi possess pressure-tunable magneto-electronic properties, mechanical robustness, and half-metallicity, making them promising candidates for next-generation spintronic applications.

In the biodegradable metal class, Mg-based alloys are considered the most promising candidates for temporary implant manufacture. However, their high corrosion rate in physiological media is considered a main drawback for clinical translation. Conversion coatings address the limitations of Mg-based alloys and provide a strategy to control corrosion and improve surface biocompatibility. In this review paper, a detailed analysis of various conversion coating techniques, including ceramic conversion coatings based on metals, polymeric conversion coatings, bioactive conversion coatings, and hybrid conversion coatings, is performed. Attention is devoted to the corrosion process and parameters, as well as to the biological response in relation to bioactivity or biocompatibility. The main angiogenic and osteogenic signaling pathways are described based on the analyzed conversion coatings, and the evolution of the cellular response is estimated. Although significant progress has been made in the field, there are still challenges associated with synchronizing Mg alloy degradation with new bone formation and with precisely guiding cell signaling responses to achieve a desired biological response. An overall conclusion of the paper consists of the fact that conversion coatings are an important topic, as they can enhance the surface of Mg-based alloys, making them prone to clinical translation.

Designing and developing high-efficient bifunctional electrocatalysts toward both oxygen reduction (ORR) and oxygen evolution (OER) reactions is paramount to advance rechargeable Zn-air batteries (ZABs) technology, but remains challenging. Here, the strong-coupled PdFeNi nanoalloys and oxygen-deficient NiFe2O4 spinel nanohybrids (PdFeNi/NiFe2O4), are fabricated by atomic implantation and in-situ alloying strategy. Due to the dense heterointerfaces, unique lattice strain, abundant oxygen vacancies, and strong metal-support interactions, the electronic distribution and intermediates' adsorption in PdFeNi/NiFe2O4 are collectively optimized, meanwhile promoting lattice oxygen participation in OER. As a result, such PdFeNi/NiFe2O4 nanohybrids manifest outstanding bifunctional electrocatalytic performances with a potential difference of 0.74 V between OER and ORR. Using them as air electrode, the assembled aqueous ZABs can deliver high peak power density (156.1 mW cm-2), and maintain excellent round-trip efficiency (61.4%) after cycling over 1200 h, surpassing that of Pt/C + IrO2 counterparts. Moreover, further fabricated quasi-solid-state ZABs showcase good flexibility, recoverability and practicability, which can be employed to power various electronic devices. This work offers a novel strategy to develop strong-coupled nanohybrids as bifunctional oxygen electrocatalysts, which may spur their applications in clean energy conversion and storage devices.

Precise modulation of degradation behavior is vital for the biomedical use of biodegradable zinc-based alloys. Variations in electrochemical potential between the Zn matrix and secondary phases markedly influence both the mechanical performance and corrosion characteristics of these alloys. In this work, a zinc alloy with an ultrafine-grained (UFG) structure was fabricated through a two-step rolling process, refining the grain size from 17.28 μm to 0.41 μm (a percentage reduction of 98%). The resulting material exhibited outstanding mechanical strength and ductility, achieving values of 383 MPa in tensile strength and 114% in elongation at ambient temperature. Microstructural analysis revealed uniformly refined grains accompanied by CuZn5 particles (~ 300 nm) and nanoscale precipitates. The enhanced mechanical properties mainly stem from grain-boundary, dislocation, and precipitation strengthening mechanisms. Compared with coarse-grained pure zinc, the UFG alloy displayed more homogeneous corrosion in Hank's solution. Furthermore, in vitro assays demonstrated favorable cytocompatibility and osteogenic potential. Collectively, these findings suggest that the UFG Zn alloy holds promise as a next-generation biodegradable metal with exceptional ductility, controlled corrosion performance, and excellent biocompatibility for orthopedic implant applications.

Magnesium (Mg) alloys are promising for application as degradable bone substitutes due to their appropriate elastic modulus, which is closer to bone than that of permanent metallic biomaterials. Once implanted, Mg implants must provide adequate mechanical support to maintain the integrity of the injured site while promoting bone ingrowth to ensure optimal tissue healing. The aim of this study was to assess the quality of bone regeneration in a dog model via high-resolution X-ray computed tomography (XCT) at 4, 8 and 16 weeks following the implantation of Mg-based fibres into critical-sized defects. These results were compared to those induced by a commercially available bovine bone graft (BBG) and empty (E) controls. At 16 weeks, mechanical characterisation was also performed using digital volume correlation (DVC). Mg promoted greater bone formation (bone volume fraction of 0.77 ± 0.15, 0.53 ± 0.07 and 0.45± 0.06 at 16 weeks for Mg, E and BBG, respectively). New bone formation combined with homogenous and tight integration of the Mg fibres led to the complete restoration of the defect. The newly formed bone showed signs of increasing mineralization (541 ± 50 mg HA.cm-3), remodelling and angiogenesis after 16 weeks, enabling the Mg fibres to facilitate complete tissue healing and provide sufficient mechanical strength (3.32 ± 0.92 MPa and 152 ± 1 MPa for apparent yield stress and Young's modulus, respectively) to support loading. This study suggests that Mg-based fibres can promote osteointegration and osteoconduction enabling the reconstruction of critical-sized defects while maintaining the mechanical integrity of the injured site. STATEMENT OF SIGNIFICANCE: Magnesium is a highly promising biomaterial for bone regeneration; however, its rapid corrosion in physiological environments can compromise mechanical integrity and lead to treatment failure. This study investigates an innovative strategy designed to slow corrosion, combining 1) a magnesium alloy without aluminium, neodymium or gadolinium, elements commonly present in AZ31 or WE24 alloys but associated with poor biocompatibility and 2) a fluorine coating. The biological and mechanical performance of this composite biomaterial were assessed after implantation in a critical-size bone defect, using histological analyses, X‑ray computed tomography, and digital volume correlation to evaluate bone healing. The findings will contribute to the advancement of safe and effective biomaterials that can be translated to clinical solutions for bone tissue regeneration.

Metallic glasses (MGs) exhibit exceptional strength, elasticity, and corrosion resistance due to their disordered atomic structure, with Cu-Zr alloys serving as widely studied model systems. External pressure can significantly modify glass formation, atomic packing, and mechanical response by altering short-range order (SRO), medium-range order (MRO), and the glass transition temperature. While previous studies have reported pressure-induced crystallization or reductions in icosahedral ordering at high pressures, the present work shows that moderate external pressures (<10 GPa) enhance dense atomic packing without triggering crystallization. In particular, pressure increases the glass transition temperature and promotes the formation and interconnectivity of icosahedra-like structures, strengthening the amorphous backbone of the glass. Molecular dynamics simulations were performed on a Cu 64 Zr 36 metallic glass obtained by cooling the liquid under external pressures ranging from 0 to 10&#xa0;GPa. Structural evolution was characterized using radial distribution functions, Voronoi polyhedra analysis, and network connectivity analysis. SRO was quantified through populations of icosahedra-like (solid-like), transition, and liquid-like polyhedra, revealing a pressure-induced increase in solid-like and transition polyhedra and a reduction in liquid-like environments. MRO was examined via 2-atom, 3-atom, and 4-atom connections and the interconnectivity of icosahedra-like networks, showing enhanced face-sharing connectivity and increased network cohesion at higher pressures. Elastic moduli were calculated from the stiffness tensor and were found to increase with pressure, consistent with the formation of denser atomic packings and a more mechanically stable glass structure.

Metal additive manufacturing (AM) relies on alloy feedstock powders that may come into contact with the workers' skin during handling, yet skin-relevant data on metal release and biological reactivity remain limited. Here, we assessed the cutaneous bioactivity of the fine particle fraction of four gas-atomized Fe-based AM powders (316L stainless steel, Fe-powder A, and tooling steels B and C). Powders were sieved to <10 &#x3bc;m and characterized by scanning electron microscopy and X-ray photoelectron spectroscopy before and after incubation in artificial sweat (ASW). Metal biodissolution was quantified in ASW and keratinocyte culture medium using atomic absorption spectrophotometry. Cellular responses were evaluated in HaCaT keratinocytes using Cell Painting-based phenomics and multiplex cytokine/chemokine profiling and in an ex vivo full-thickness human skin explant model, including superficial barrier disruption, IL-8/CXCL8 quantification, and histological assessment. ASW exposure induced marked shifts in the outermost surface composition across powders, indicating sweat-driven surface transformation. Biodissolution was low and medium-dependent, with Fe dominating the release in ASW, and with an overall metal release remaining limited in cell culture medium. In HaCaT cells, MCP-1/CCL2, IL-6, and IL-8/CXCL8 were quantifiable but showed no significant changes following powder exposure. Cell Painting revealed subtle, shared phenotypic signatures, primarily involving mitochondrial-associated features, without evidence of broad cellular stress. In the ex vivo skin model, AM powders did not increase IL-8/CXCL8 secretion, the particles remained localized to the skin surface without detectable penetration, and coexposure with Staphylococcus epidermidis did not enhance bacterial colonization or induce inflammation. To the best of our knowledge, this is the first study that applies a human skin explant model to evaluate dermal responses to metal AM powders. Overall, the tested AM powders showed low short-term cutaneous reactivity under skin-relevant conditions, providing human-relevant evidence to inform occupational risk assessment in AM environments.

Bone repair remains a major clinical challenge. Although traditional metal implants, such as titanium and its alloys, provide mechanical strength, they are often limited by stress shielding, insufficient osseointegration, and a lack of biological activity. Recent advances in metallic topological structures offer a promising solution by integrating mechanical adaptability with biological functionality. This review systematically summarizes the design, properties, and biological interactions of metallic topological implants for bone repair. We first compare conventional metallic materials and their limitations, followed by an overview of manufacturing strategies, including structural and surface modification techniques, unit cell-based architectures, topology optimization, and reverse-engineered biological designs. The potential integration of machine learning and 4D printing is also highlighted as a future direction for personalized implant design. At the biological level, we discuss how topological cues regulate cellular responses through mechanotransduction pathways, osteogenic differentiation signaling, angiogenesis regulation, and immune modulation. Finally, we analyze the practical applications of metallic topological structures in orthopedic implants, as well as the remaining technical and translational challenges. Overall, this review emphasizes the potential of metal topologies to create a new generation of implants with greater mechanical adaptability and better biological performance. The Translational Potential of this Article: This work offers insights into the development of orthopedic metallic topological implants with enhanced mechanical and biological performance. The integration of metallic topologies with emerging technologies like 4D printing and machine learning could lead to highly personalized solutions for bone repair, addressing current limitations in clinical applications and improving patient outcomes.

Aluminum is the second most widely used metal worldwide, with essential roles in transportation, construction, packaging, and energy infrastructure. Recycling aluminum can save up to 95% of the energy required for primary production, making it a cornerstone of low-carbon manufacturing. However, recycled aluminum alloys inevitably contain higher levels of iron, which promotes the formation of brittle microscopic phases that degrade performance and limit industrial use. These phases can appear in different forms and dispersion depending on alloy composition and processing. Yet, practical guidelines for controlling them remain largely empirical and qualitative, especially when data are limited. To improve this situation, this work separates two key questions that are often conflated in alloy design: which phase type forms, and how strongly that phase affects material behavior once it appears. Using data representative of industrial conditions, we show how alloy chemistry and processing history determine which phases form and govern whether these phases develop as a few large, platelet-like features or as many small, compact particles. By clarifying these distinct roles of composition and processing, the results provide a simple and actionable framework for mitigating deleterious iron-rich phases in recycled aluminum alloys and enabling more quantitative, predictable, and impurity-tolerant sustainable alloy design.

This review investigates the critical role of surface treatment and post-processing techniques in enhancing the performance and biocompatibility of metal bio-implants. The paper addresses the challenges posed by the significant difference in Young's modulus between natural bone (15-45&#xa0;GPa) and metal alloys (110-240&#xa0;GPa), which leads to stress shielding effects and potential toxic ion release. The review first details various surface coating methods, including ion implantation and anodization, highlighting their ability to improve tribological resistance, corrosion resistance, and biocompatibility. The detailed analysis gives surface modification techniques, such as laser shock peening, Nitrogen Plasma Immersion Ion Implantation (NP-III), and anodization, which are used to enhance titanium implant properties, such as increasing surface hardness, promoting tissue growth, and creating a bio-active oxide layer. Furthermore, the paper explores post-processing methods such as laser shock peening (LSP) and surface texturing, which are crucial for modifying the surface topography and microstructural properties of implants. It also discusses techniques, particularly laser-based texturing, to reduce friction and wear while inducing beneficial compressive residual stress. The review concludes by emphasizing that a tailored approach to surface modification and post-processing is essential for developing safe and effective bio-implants for a wide range of applications, from bone fixation to load-bearing joints.

PCB recycling is crucial due to the growing electronic waste, which poses significant environmental hazards from hazardous materials like heavy metals. Traditional recycling methods, involving strong acids and high temperatures, generate toxic chemical waste and release hazardous fumes. As a result, it is essential to investigate green alternatives to reduce these environmental hazards. This study investigates the recovery of copper from waste printed circuit boards (PCBs) using a green, oxidant-free two-component deep eutectic solvent (DES) composed of choline chloride and malonic acid (ChCl: MOA), without an oxidant agent. The influential parameters-temperature, leaching time, PCB/DES mass ratio, and agitation speed-were optimized using Taguchi method, revealing that higher temperatures and longer leaching durations significantly enhance copper extraction. Analysis of variance (ANOVA) confirmed that temperature, leaching time, and PCB/DES ratio as statistically significant factors, whereas agitation speed had a negligible impact within the studied range. According to the optimization evaluation, maximum copper recovery of 89.5% was achieved under conditions of 100&#xa0;&#xb0;C temperature, 360-min leaching time, 0.04&#xa0;g/g PCB/DES ratio, and 200&#xa0;rpm agitation speed. Complete recovery was observed for Ag, while Sn showed a moderate recovery of 77.2%, which attributed to its alloying with copper and its limited dissolution in DES. Cu2+ forms stable [CuCl4]2- complexes in the ChCl: MOA DES via strong first-shell coordination with Cl-, as confirmed by molecular dynamics (MD) simulations and UV-Vis spectroscopy. RDF and coordination number analyses reveal a negligible interaction between Cu2+ and MOA. Additionally, hydrogen bonding is dominated by ChCl-Cl- interactions, while MOA is primarily involved in intramolecular hydrogen bonding, limiting its contribution to solvation and metal coordination after leaching.

Metal sulfide anodes offer high theoretical capacities for sodium-ion batteries but are limited by severe chemo-mechanical degradation from conversion/alloying reactions, poor electronic conductivity, and sluggish ion transport. Here, we present a mechanics-led design strategy, medium-entropy ductility engineering, implemented in a ternary thiospinel, ME-NCUS. Density functional theory shows a high Pugh ratio (2.722), elevated Poisson's ratio (0.336), and a reduced Young's modulus (112.8&#xa0;GPa), collectively indicating an intrinsically ductile, compliant lattice that accommodates elastic strain and dissipates anisotropic stress. This engineered mechanical response mitigates sodiation/desodiation-induced volume expansion, suppresses crack initiation and propagation, and stabilizes electrode/electrolyte interfaces. Correspondingly, the material exhibits accelerated kinetics, with high Na+ diffusivity and markedly lower activation barriers. The result is outstanding durability and power performance, retaining 92% capacity (640 mAh g-1) after 900 cycles at 5 A g-1 (7 C) with robust long-term stability. By quantitatively linking elastic constants to ion-transport barriers and failure tolerance, this work elevates ductility as a primary design handle for high-capacity, large volume change anodes. Medium-entropy engineering thus offers a general and scalable route to entropy-stabilized sulfides and other conversion/alloying anodes, enabling mechanically resilient and kinetically fast sodium storage.

Superalloys are widely recognized as ideal materials for high-temperature structural applications. Traditionally, these alloys have been manufactured from mined metal by using conventional alloying techniques. In this proof-of-concept study, we successfully made a Ni-based superalloy from waste batteries through a single-step selective in situ reduction technique bypassing the conventional norms of superalloy production. Spent batteries from obsolete electronic products and electric vehicles represent a valuable resource, as they house critical metals and minerals (e.g., Co, Ni, Mn, Graphite, and REEs) essential for superalloy production. We recycled these critical metals and minerals from spent batteries and made a Ni-based superalloy. Beyond contributing to responsible material consumption, the comprehensive compositional and structural profiling reveals that this superalloy exhibits potential for oxidative, corrosive, and various structural applications, attributed to its distinctive &#x3b3;/&#x3b3;' nanostructure. This cutting-edge study outlines a strategic method for creating superalloys from waste batteries, decreasing the need for traditional mining and alloying.

Ligand isomerism can effectively modulate the properties of clusters. Herein, a series of alloy (AuAg)13 nanoclusters (NCs) capped by 2- or 4-mercaptopyridine were synthesized and well determined. Results showed that all four NCs exhibit pronounced multiphoton absorption under near-infrared (NIR) excitation, and 4-mercaptopyridine coordinated clusters display significantly enhanced multiphoton absorption coefficients and cross-sections compared with their 2-mercaptopyridine coordinated analogues. Complementary density functional theory and time-dependent density functional theory calculations show that 4-mercaptopyridine ligation shifts the relative positions and densities of excited-state energy levels, alters the states contributing to low-energy absorption, and enhances ligand-to-metal charge transfer (LMCT), thereby accounting for the experimentally observed increase in nonlinear optical response. This work provides an intriguing ligand-engineering strategy and a cluster platform for stepwise control of the nonlinear optical behaviour of (AuAg)13 alloy nanoclusters and sheds light on the precise correlation between the ligand structure and nonlinearity at the atomic level.

Background/Objectives:Staphylococcus epidermidis (RP62A) and Staphylococcus aureus (UAMS-1) are clinically relevant pathogens frequently implicated in implant-associated infections due to their ability to form biofilms. RP62A is typically linked to persistent, chronic, low-grade infections, whereas UAMS-1 is associated with acute, invasive disease. Both strains serve as representative models for chronic and acute periprosthetic joint infections (PJIs). The objective of this study was to examine and compare in vitro biofilm formation by RP62A and UAMS-1 on orthopaedic materials/disc surfaces of defined composition. Methods: In vitro biofilm formation assays were performed using orthopaedic disc surfaces composed of cobalt-chromium alloy (CoCr), titanium alloy (Ti), and polyethylene (PE) after 72 h of incubation. Biofilm biomass was quantified using crystal violet staining, with absorbance measured at OD570. A polystyrene (PS) surface served as a control. Additionally, retrieved orthopaedic explant components were used as substrates for in vitro biofilm assays, in which RP62A was incubated for 72 h on the explanted surfaces. Supporting assays on glass slides were conducted to examine strain-specific biofilm-related architecture. Results: In vitro biofilm mass quantification assays showed strong biofilm formation by RP62A across all tested surfaces, with the highest absorbance on CoCr (OD570 = 5.80 &#xb1; 0.19). Notably, biofilm formation on CoCr was 76% higher compared to PS (p < 0.0001). No significant differences were observed among all three surface discs (p > 0.1). Biofilm formation was highest on PE for UAMS-1 (OD570 = 1.29 &#xb1; 0.09) and was significantly greater than on Ti (178%, p < 0.001) and CoCr (196%, p < 0.0001). In the in vitro assays performed on retrieved explant components, RP62A showed pronounced biofilm accumulation on polyethylene tibial inserts, particularly in regions of mechanical wear and friction. Supporting assays on glass slides were performed to examine strain-specific surface microstructural, revealing dense network-like structures for RP62A and thinner, discontinuous layers for UAMS-1. Conclusions: RP62A formed dense biofilms in vitro on multiple orthopaedic implant materials and retrieved explant components, consistent with its association with chronic periprosthetic joint infections. Increased biofilm accumulation was observed on mechanically worn polyethylene surfaces. In contrast, UAMS-1 showed lower biofilm formation on metallic disc surfaces, indicating strain- and material-dependent differences. These findings highlight the relevance of implant material selection and surface integrity for strategies targeting biofilm-associated implant infections.

We employ density functional theory to explore how Al and Cu substitution influence the mechanical properties of the refractory high-entropy alloy MoNbTaW. Replacing W with Al or Cu reduces the alloy's density and alters its electronic structure in distinct ways. Projected density of states and Bader charge analyses indicate that Cu weakens metallic bonding, while Al promotes more directional, covalent-like interactions. These modifications enhance ductility, as evidenced by increases in Poisson's ratio ( v ) and the Pugh ratio ( &#x3b3; ). Electron localization function results further reveal greater charge delocalization in the alloyed systems, supporting the conclusion that strategic Al and Cu incorporation can improve ductility without compromising thermodynamic stability. These findings provide insight into designing lightweight, ductile, and stable tungsten-based high-entropy alloys for demanding structural applications.

Infections associated with titanium-based medical and dental implants present a major clinical challenge, as they can compromise osseointegration and long-term implant stability. Silver-based nanoparticles (NPs) are widely recognized for their strong antimicrobial properties, and when combined with titanium, they hold significant promise for developing infection-resistant and biocompatible implant surfaces. In this study, Ag/AgO/Ag2O NPs were deposited onto highly porous TiO2 layers formed on the Ti6Al4V alloy by microarc oxidation (MAO), with the aim of simultaneously enhancing antibacterial performance and supporting osteoblast activity. The NPs exhibited a predominant size of 8.7 &#xb1; 0.1 nm, with smaller particles oxidized to AgO and Ag2O, and larger particles (&#x223c;10 nm) composed of metallic Ag. SEM evaluation revealed that the NPs were homogeneously dispersed across the oxide surfaces without altering the rough and porous morphology of TiO2. The MAO-treated surfaces initially showed hydrophobic behavior (contact angle of 94.1 &#xb1; 0.3&#xb0;), which shifted to hydrophilic after Ag/AgO/Ag2O NP deposition due to increased hydroxyl group formation. Antibacterial assays against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) revealed a significant enhancement in antibacterial activity, particularly for surfaces with the highest Ag/AgO/Ag2O NP density. Meanwhile, osteoblast cell viability assays demonstrated no reduction in metabolic activity after 72 h, and SEM images confirmed cell adhesion and proliferation. Overall, these findings highlight the potential of Ag/AgO/Ag2O NP-modified TiO2 surfaces as multifunctional coatings that combine infection resistance with osteoblast compatibility, offering promising applications in dental and orthopedic implants.

Lithium-sulfur batteries (LSBs) face significant challenges for practical application, primarily due to the sluggish reaction kinetics and pronounced shuttle effect of lithium polysulfides (LiPSs). This study proposes a synergistic strategy involving doping engineering and controlled nitridation-induced electronic state modulation to fabricate a Ni3Fe/Ni2Fe2N composite as an efficient sulfur host material. This rational design integrates the strong catalytic activity of the metal alloy (Ni3Fe) with the high electrical conductivity of the nitride (Ni2Fe2N), enabling effective anchoring and conversion of polysulfides. Density functional theory (DFT) calculations and analysis results of XAFS and XPS confirm that an upshifted d-band center and modulated electronic states significantly enhance reaction kinetics and catalytic activity. In situ Raman spectroscopy and DRT analysis directly demonstrate the exceptional capability of the material to suppress the polysulfide shuttle effect. The battery exhibits remarkable cycling stability, achieving 1000 cycles with an ultralow decay rate of 0.045% per cycle. The outstanding performance is retained even under conditions as harsh as a high sulfur loading (4.3&#xa0;mg cm-2) and low temperature (-10&#xb0;C). This work not only presents a high-performance catalyst but also provides new insights into the design of LSB catalysts via electronic state modulation.