Journal of Materials Science最新文献

{"title":"K2S-mediated hierarchical pore engineering in lignin-derived sulfur-enriched activated carbons for enhanced elemental mercury capture","authors":"Bingying Li,&nbsp;Mengen Zhong,&nbsp;Songlin Zuo,&nbsp;Debin Wang","doi":"10.1007/s10853-025-11494-1","DOIUrl":"10.1007/s10853-025-11494-1","url":null,"abstract":"<div><p>Sulfur-functionalized porous carbons have garnered significant attention for multifunctional applications ranging from energy storage to environmental remediation. This study introduces an innovative single-step K₂S activation strategy for converting renewable lignin into high-surface-area sulfur-enriched porous carbons with hierarchical porosity. The results showed that the activation parameters of K₂S/lignin mass ratios (0.5:1 to 3:1) and thermal activation temperatures (600–850 °C) critically govern the resultant pore structure, sulfur content (5.0–12.5 wt%), and sulfur speciation distribution. The characterization reveals three dominant sulfur configurations: elemental (S⁰), thiophenic (C–S–C), and sulfonic (C–S=O) moieties, with their relative distribution being thermally modulable. Post-synthesis treatments through methanol extraction and thermal annealing (800 °C/N₂) were found to effectively eliminate pore-blocking S⁰ species while enhancing textural properties, achieving exceptional Brunauer–Emmett–Teller surface areas (2500 m² g⁻¹) and total pore volumes (2.4 cm³ g⁻¹) at optimal conditions. This pore evolution suggests a dual mechanism where elemental sulfur acts as both a porogen and reactive intermediate during K₂S activation. The optimized sulfur-containing porous carbons exhibited superior elemental mercury adsorption capacity (44 mg g⁻¹), outperforming conventional sulfur-impregnated carbons. This work establishes K₂S activation as a sustainable paradigm for fabricating hierarchically sulfur-containing porous carbons, combining renewable feedstocks with tailorable surface chemistry for advanced environmental applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17492 - 17511"},"PeriodicalIF":3.9,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acoustic energy control of sandwich acoustic topologies","authors":"Xiao Liang,&nbsp;Zhen Wang,&nbsp;Jiangxia Luo,&nbsp;Guojian Zhou","doi":"10.1007/s10853-025-11497-y","DOIUrl":"10.1007/s10853-025-11497-y","url":null,"abstract":"<div><p>Acoustic topologies have received attention mainly due to their extreme acoustic transport capabilities. However, previous acoustic topologies were derived from arrays of scatterers. The pseudo-spin positions of phononic crystals tend to exist only at the K or Г points in the Brillouin zone. This paper proposes a periodic sandwich acoustic topology without scatterers. By gouging out the periodic cylindrical structure in the bottom plate, the air sandwich in the center is made to have acoustic topological properties. This sandwich structure allows for a pseudo-spin acoustic flow at both the K and Г points in the Brillouin zone, thus enabling a stronger acoustic transmission. The absence of scatterers means that applications will be possible in more fields. Meanwhile, this research proposes a method to control the intensity of acoustic flow based on this structure. By introducing a specially designed acoustic flow switch, arbitrary control of the acoustic flow intensity on the edge-state path can be realized. The proposed method will help to cope with scenarios where different acoustic flow intensities need to be output. This has a high potential for applications such as separating particles with different masses in microfluidics.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17649 - 17663"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zn-driven amorphous CoP on MXene-modified Ni foam: phase engineering for efficient hydrogen evolution catalysis","authors":"YaXi Zhang,&nbsp;Jin Liang,&nbsp;Li Zhang,&nbsp;FengYuan Zou,&nbsp;YunFeng Li,&nbsp;ZiQuan Zeng,&nbsp;Tian Lei,&nbsp;Guang Yang","doi":"10.1007/s10853-025-11504-2","DOIUrl":"10.1007/s10853-025-11504-2","url":null,"abstract":"<div><p>As a clean energy carrier, hydrogen necessitates efficient production via cost-effective, highly active non-noble metal electrocatalysts. Herein, we demonstrate a Zn-doped CoP heterostructure catalyst anchored on MXene-engineered nickel foam (MXene@ZnCoP/NF) through synergistic substrate engineering and compositional modulation. This design achieves exceptional alkaline hydrogen evolution reaction (HER) activity and superior overall water splitting efficiency. In 1.0 M KOH electrolyte, the MXene@ZnCoP/NF heterostructure exhibits exceptional HER performance, achieving a low overpotential of 15 mV at 10 mA cm⁻², 64 mV at 50 mA cm⁻², 214 mV at 500 mA cm⁻², and a Tafel slope of 86.0 mV dec⁻¹, indicative of rapid reaction kinetics. Furthermore, the catalyst demonstrates industrial-grade durability, maintaining stable operation for 65 h at 500 mA cm⁻² without significant degradation. When integrated into a full-cell electrolyzer with RuO₂/NF as the anode (RuO₂/NF ||MXene@ZnCoP/NF), the system requires only 1.53 V to deliver a current density of 10 mA cm⁻², surpassing the performance of the noble metal system Pt-C/NF||RuO₂/NF (1.61 V). This highlights its potential as a cost-effective alternative to noble metal-based electrocatalysts for scalable hydrogen production. The enhanced catalytic performance can be primarily attributed to the synergistic interplay of three key factors: the superior conductivity provided by MXene-engineered NF substrates, the Zn doping-induced crystalline-to-amorphous phase reconstruction, and the morphological transformation from micrometer-scale architectures to nanoscale structures. This study proposes an innovative “substrate–structure–composition” synergistic strategy that establishes a new paradigm for designing highly efficient non-noble metal HER electrocatalysts, thereby propelling the scalable industrial implementation of electrocatalytic water splitting for hydrogen production.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17781 - 17795"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on deformation and fracture behavior of TC17 titanium alloy by finite element model based on mapping EBSD data","authors":"Xuan Xiao,&nbsp;Yue Mao,&nbsp;Li Fu","doi":"10.1007/s10853-025-11401-8","DOIUrl":"10.1007/s10853-025-11401-8","url":null,"abstract":"<div><p>TC17 titanium alloy is widely used in the aviation industry due to its high strength, high hardness, excellent fatigue resistance, and corrosion resistance. As a two-phase alloy, the plastic strain accommodation at <i>α</i>/<i>β</i> phase interfaces governs the material’s overall plastic deformability and fracture resistance, thereby becoming the decisive factor in microstructure optimization and service life prediction of aviation titanium alloy structural components. This paper proposes a fracture prediction method based on FEM that integrates experimentally characterized EBSD data with a modified fracture criterion to study the stress–strain evolution, deformation, and fracture behavior of TC17(<i>α</i> + <i>β</i>) and TC17(<i>β</i>) titanium alloys under tensile loading conditions. The model effectively reveals the influence of phase interfaces on mechanical properties and fracture behavior. The research results indicate that the simulated elastic modulus, yield strength, tensile strength, and elongation of TC17(<i>α</i> + <i>β</i>) titanium alloy are 92.34 GPa, 1030 MPa, 1119.7 MPa, and 3.2%, respectively, while those of TC17(<i>β</i>) are 91.58 GPa, 1031.8 MPa, 1175.5 MPa, and 3.15%, respectively. The deviation rates between simulated and experimentally measured (SEM in situ tensile test) mechanical properties are all within 3.5%, with the exception of elongation which exhibits a deviation below 8%. Stress and strain concentrations in TC17(<i>α</i> + <i>β</i>) titanium alloy primarily develop at interfaces between either equiaxed or lamellar <i>α</i> phase and the <i>β</i> matrix, whereas in TC17(<i>β</i>) alloy, they predominantly form at grain boundary <i>α</i> phase/<i>β</i> matrix interfaces (<i>α</i> phase at prior <i>β</i>-grain boundaries) or within <i>β</i> matrix regions adjacent to lamellar <i>α</i> phase termini. Crack initiation consistently occurs at <i>α</i>/<i>β</i> interfaces, specifically at equiaxed <i>α</i> phase interfaces in TC17(<i>α</i> + <i>β</i>) and grain boundary <i>α</i> phase interfaces in TC17(<i>β</i>), with subsequent propagation proceeding either along <i>α</i> phase interfaces or through <i>α</i> phase into the <i>β</i> matrix, where the basketweave structure demonstrates significantly greater crack propagation resistance compared to lamellar structures.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17811 - 17828"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Melt mixing activated Zn-BDC MOF for sustainable packaging: enhancing barrier properties in PLA/PCL nanocomposites","authors":"Meriem Guira,&nbsp;Samia Kerakra,&nbsp;Marc Ponçot,&nbsp;Tayeb Bouarroudj,&nbsp;Abderrahmane Habi","doi":"10.1007/s10853-025-11490-5","DOIUrl":"10.1007/s10853-025-11490-5","url":null,"abstract":"<div><p>Sustainable packaging remains a key challenge in the transition away from petroleum-based materials. This study explores the development of biodegradable films based on a poly(lactic acid) (PLA)/polycaprolactone (PCL) blend, with 30 wt% PCL as the dispersed phase. To enhance moisture barrier performance, a zinc-based metal–organic framework with 1, 4-benzenedicarboxylic acid (Zn-BDC MOF) was synthesized and incorporated into the blend at 1 wt%, 3 wt%, 5 wt%, and 7 wt% loadings via melt mixing using a co-rotating twin-screw micro-compounder, ensuring homogeneous dispersion. The melt mixing process facilitated the activation of Zn-BDC MOF by enhancing its surface exposure and promoting coordination interactions with the polymer chains, as evidenced by FTIR shifts in carbonyl and methylene bands, indicating modified intermolecular interactions. These changes were linked to increased PLA crystallinity and disrupted PCL crystallinity, highlighting Zn-MOF’s dual structural role. Thermal and morphological analyses (2D WAXS, DSC, TGA, SEM), along with dynamic mechanical testing (DMA) and surface assessments (contact angle, AFM), demonstrated enhanced interfacial compatibility between PLA and PCL. Notably, 3 wt% Zn-MOF displayed optimal performance, with a higher storage modulus and improved dispersion, without significant agglomeration. Surface analysis revealed a progressive decrease in contact angle and increased roughness, indicating improved hydrophilicity and heterogeneity. Despite the increased surface polarity, water absorption and vapor permeability were reduced at moderate Zn-MOF loadings, attributed to increased tortuosity and densified morphology, which limited water diffusion pathways. Overall, the incorporation of Zn-MOF into PLA/PCL blends significantly enhances compatibility, and moisture resistance, thereby establishing this nanocomposite system as a promising candidate for sustainable packaging.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17512 - 17530"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring sulfurization conditions in NiFe-PBA-derived NiSx@FeSx electrocatalysts for enhanced bifunctional water splitting","authors":"Purusottam Reddy B,&nbsp;Shrouq H. Aleithan,&nbsp;Naveen B,&nbsp;Youngsuk Suh,&nbsp;Si-Hyun Park","doi":"10.1007/s10853-025-11390-8","DOIUrl":"10.1007/s10853-025-11390-8","url":null,"abstract":"<div><p>Designing efficient, cost-effective electrocatalysts for electrochemical splitting of water is essential towards developing clean hydrogen energy devices. Here, we report a set of NiS_x@FeS_x nanocomposites from NiFe-based Prussian Blue Analogue (PBA) materials, along with a detailed analysis of how sulfurization temperature in a range of 400–650 °C impacts structure evolution, surface composition, and electrochemical performance. The structure determination of NiS_x@FeS_x nanocomposites confirmed mixed-metal sulfide phases of NiS₂ as well as FeS₂, along with heterogeneous interfaces and favorable Ni³⁺ and Fe³⁺ oxidation states, both of which are significant for catalytic activity. Amongst all, NiS_x@FeS_x nanocomposite sulfurized at 500 °C displayed maximal electrocatalytic performance. Its higher catalytic activity was attributed to a synergistic coupling of heterogeneous, interconnected interfaces along with increased ionic conductivity, allowing for more effective charge transfer as well as enhanced reaction kinetics. The electrochemical data affirmed that NiS_x@FeS_x-500 needed a low overpotential of 276 mV towards oxygen evolution reaction (OER) at 50 mA cm⁻², coupled with a resultant Tafel slope of 91 mV dec⁻¹. Towards hydrogen evolution reaction (HER), it demonstrated a low overpotential of 179 mV at 10 mA cm⁻² as well as a Tafel slope of 81 mV dec⁻¹, reflecting effective reaction kinetics. Additionally, the two-electrode electrolyzer constructed using this material both as anode and cathode needed merely 1.706 V to reach 10 mA cm⁻², while operating stably over a period of 10 h. These observations point towards potential applications of NiFe-PBA-derived NiS_x@FeS_x-500 nano composite as a stable, cost-effective bifunctional electrocatalyst towards overall water splitting technologies.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17664 - 17678"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and application of novel imidazole-containing phosphorus–nitrogen flame retardants in epoxy resins","authors":"Yuanyuan Qiu,&nbsp;Bing Liang,&nbsp;Jiapeng Long","doi":"10.1007/s10853-025-11526-w","DOIUrl":"10.1007/s10853-025-11526-w","url":null,"abstract":"<div><p>A novel 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide-based phosphorus–nitrogen synergistic flame-retardant NA/DOPO-Chl was designed and synthesized from 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide,paraformaldehyde, chloroacetyl chloride, and N-(3-aminopropyl)-imidazole and developed and applied to enhance the flame retardancy of epoxy resin. FTIR, NMR, and high-resolution mass spectrometry were used to characterize the chemical structures. The flame-retardant epoxy composites were systematically evaluated using thermogravimetric analysis, limiting oxygen index measurement, vertical burning test (UL-94), cone calorimetry, and scanning electron microscopy. With the incorporation of only 3.0 wt% of the flame retardant, corresponding to a phosphorus content of 0.23 wt%, the epoxy composite achieved a V-0 rating in the UL-94 test and exhibited a limiting oxygen index of 28.3%. Cone calorimetry results revealed that the peak heat release rate and total heat release were reduced by 46.15% and 48.55%, respectively, indicating substantially suppressed fire hazards. Furthermore, the mechanical properties of the modified epoxy were notably enhanced, demonstrating a balance between flame retardancy and mechanical performance. This study provides an efficient strategy for developing high-performance epoxy resins with excellent fire safety and retained mechanical integrity, showing promising potential for applications in advanced electronic packaging and composite materials.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"18136 - 18151"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sponge shape semi-interpenetrating polymeric networks based on PDMS/CS/PVA/GEN to capture an azo dye","authors":"Luis G. Ruíz-Nieto,&nbsp;Nadia A. Vázquez-Torres,&nbsp;Jorge A. Benítez-Martínez,&nbsp;Itzel M. Garnica-Palafox,&nbsp;Selene R. Islas,&nbsp;Monserrat Bizarro,&nbsp;Francisco M. Sánchez-Arévalo","doi":"10.1007/s10853-025-11487-0","DOIUrl":"10.1007/s10853-025-11487-0","url":null,"abstract":"<div><p>We have demonstrated the feasibility of obtaining semi-interpenetrating polymeric networks containing PDMS and hybrid hydrogels CS/PVA/GEN produced as sponges. They were intended to capture acid blue 113 (AB113), which was dissolved in water at concentrations of 10, 5, and 2.5 ppm with a pH of 5.8. The chemical stability of the sponges was proved after reusability cycles of AB113 capturing; FT-IR analysis did not reveal any chemical changes or degradation in the sponges after their use as a removal device. Using PDMS in the CS/PVA/GEN blend enhances the sponges’ mechanical response, exhibiting an elastic modulus of 21<span>(-)</span>26.7 kPa in the dry state and 15–16 kPa in the hydrated state, respectively. The sponges were able to capture AB113 up to 3 cycles of reuse. The possible mechanisms of AB113 capture include electrostatic attractions, hydrogen bonding (dipole–dipole and Yoshida H-bonding), n-<span>(pi)</span> stacking, and <span>(pi)</span>-<span>(pi)</span> interactions. In the first cycle of capture, the sponges showed capture percentages ranging 76 ± 11% , 79 ± 2%, and 90 ± 1%; however, for the third cycle of capture, their efficiency decreased to 20 ± 3%, 22 ± 1%, and 34 ± 3%, for concentrations of 10, 5, and 2.5 ppm, respectively. Lower concentrations of AB113 implied better removal capacity of the sponges. Our results demonstrated that sponges can potentially remove contaminants such as organic dyes from water. These findings open the possibility of using them to capture other pollutants, such as heavy metals or pesticides that have chemical affinity to the chemical structure of the semi-interpenetrating polymeric network-based PDMS/CS/PVA/GEN sponges.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"18113 - 18135"},"PeriodicalIF":3.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10853-025-11487-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-temperature wear and oxidation resistance of laser clad AlCoCrFeNiMo0.8-TiC composite coatings","authors":"Han Yantao,&nbsp;Li Guodong,&nbsp;Li Yutao,&nbsp;Ji Xiaoliang,&nbsp;Wang Kaiming,&nbsp;Yang Xiaojun,&nbsp;Lin Jian,&nbsp;Fu Hanguang","doi":"10.1007/s10853-025-11549-3","DOIUrl":"10.1007/s10853-025-11549-3","url":null,"abstract":"<div><p>High-entropy alloys (HEAs) have been extensively studied due to their exceptional high-temperature mechanical properties and wear resistance. Among them, AlCoCrFeNiMo₀.₈-TiC composite coatings exhibit outstanding wear resistance at room temperature, yet their high-temperature behavior remains insufficiently explored. In this study, high-temperature wear and cyclic oxidation tests were conducted at 500 °C, 700 °C, and 900 °C to evaluate the oxidation behavior and tribological performance of these coatings. The oxidation products were primarily TiO₂, Al₂O₃, Cr₂O₃, and Fe₃O₄, with the weight gain following a parabolic trend. The mass increases per unit area were 0.0586, 0.2842, and 1.8112 mg·cm⁻² at 500 °C, 700 °C, and 900 °C, respectively. As temperature increased, the formation of a dense glaze layer from the oxidation products resulted in a continuous reduction in the coefficient of friction (COF). The lowest wear rate was observed at 700 °C (1.5586 × 10⁻⁷ mm³·N⁻¹·m⁻¹), followed by 500 °C (6.2059 × 10⁻⁷ mm³·N⁻¹·m⁻¹). At 900 °C, the glaze layer softened, leading to an increase in wear. Additionally, the dominant wear mechanism transitioned from abrasive wear at lower temperatures to oxidative wear at higher temperatures.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 38","pages":"17608 - 17626"},"PeriodicalIF":3.9,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning-assisted shape prediction for two-dimensional transition metal dichalcogenides growth","authors":"Zihan Hu,&nbsp;Zongyu Huang,&nbsp;Biwen He,&nbsp;Siwei Luo,&nbsp;Xiang Qi","doi":"10.1007/s10853-025-11398-0","DOIUrl":"10.1007/s10853-025-11398-0","url":null,"abstract":"<div><p>The controlled growth of two-dimensional (2D) transition metal dichalcogenides (TMDs) with precise morphological features remains a significant difficulty in chemical vapor deposition (CVD). However, the conventional trial-and-error approach of empirically varying CVD parameters to control the growth shape is time-consuming and lacks reproducibility. This paper proposes a machine learning-based shape recognition method to guide the growth of 2D TMDs, which can reduce optimization time by several orders of magnitude. Four machine learning (ML) algorithms, random forest (RF), adaptive boosting (AdaBoost), support vector machine (SVM), and <i>k</i>-nearest neighbor (KNN), were used to build a model for predicting the growth shape of 2D TMDs prepared by chemical vapor deposition. By systematically evaluating the performance metrics of each model, including recall, <i>F</i>1_score, accuracy, receiver operating characteristic curve, and area under curve value. The KNN model performed best, with a prediction accuracy of 84%, a recall of 0.84, an <i>F</i>1_score of 0.84, and an AUC value of 0.83. ML can directly predict the shape of TMDs from process parameters, thereby overcoming the limitations of traditional trial-and-error methods. The results of the feature significance analysis indicated that the S/Se evaporation temperatures (<i>T</i>_s/<i>T</i>_se) and the reaction temperatures (<i>T</i>_g) were the key process parameters affecting the growth shapes of TMDs. <i>T</i>_s/<i>T</i>_se and <i>T</i>_g have opposite effects on the evolution of growth shape. These findings provide an important basis for optimizing the preparation process of 2D materials and help to realize the controlled synthesis of the growth shape.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 37","pages":"17038 - 17050"},"PeriodicalIF":3.9,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145128563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}