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Nonlinear Dynamics of Thick Hybrid Composite Laminates Subjected to Low-Velocity Impact and Various Preloading. 低速冲击和不同预紧力下厚复合材料层合板的非线性动力学。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102331
Aiqin Tian, Chong Li, Long Ma, Xiuhua Chen
{"title":"Nonlinear Dynamics of Thick Hybrid Composite Laminates Subjected to Low-Velocity Impact and Various Preloading.","authors":"Aiqin Tian, Chong Li, Long Ma, Xiuhua Chen","doi":"10.3390/ma18102331","DOIUrl":"10.3390/ma18102331","url":null,"abstract":"<p><p>The composite primary structures of railway vehicles endure not only mechanical loads including tension, compression, bending, and torsion, but also external impacts, such as by the crushed stone in ballast. In the present study, the low-velocity impact response of preloaded hybrid composite laminates with different thicknesses is examined using a finite element method based on a progressive damage model. The hybrid plate consists of carbon fiber-reinforced unidirectional and woven prepregs. The progressive damage model, based on the 3D Hashin model, is validated by experiments on hybrid laminate, and further compared with the post-impact appearance obtained from CT scans. Preloading, considered to be tensile, compressive, or shear, corresponds to different positions in a bending beam with flanges and a web. Finally, the effects of impact energy, preloading, thickness, and impact angle on the dynamic response are analyzed, with an emphasis on new results and failure mechanism analysis comparing the influence of preloads under a given impact energy and different thicknesses.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113442/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144160052","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}
引用次数: 0
Zirconium Phosphonate Sorbent Materials-Synthesis, Characterization, and Application for Copper Removal from Acidic Wastewater. 磷酸锆吸附剂的合成、表征及在酸性废水中除铜的应用。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102333
Marta Marszałek, Marcin Piotrowski, Bożena Druzgała, Zbigniew Wzorek
{"title":"Zirconium Phosphonate Sorbent Materials-Synthesis, Characterization, and Application for Copper Removal from Acidic Wastewater.","authors":"Marta Marszałek, Marcin Piotrowski, Bożena Druzgała, Zbigniew Wzorek","doi":"10.3390/ma18102333","DOIUrl":"10.3390/ma18102333","url":null,"abstract":"<p><p>Copper removal from wastewater is a major challenge in the treatment of both hydrometallurgical copper recycling effluents and mining wastewater. The use of sorbents is considered the most efficient and environmentally friendly method for this purpose. Zirconium aminotris(methylenephosphonates) exhibit excellent sorption properties towards many metal ions. Therefore, the goal of this research was to synthesize amorphous zirconium phosphonate materials with a wide range of P:Zr molar ratios (0.5-100) in the reaction mixture and under mild conditions. The obtained sorbents were characterized using ATR-FTIR, XRD, SEM-EDS, CHN analysis, and pH titration. The sorption properties of the zirconium aminotris(methylenephosphonates) were studied in pure copper solutions and in the complex acidic solutions (pH 1.6-3.2). The results were compared with those for the commercially available resins designed to capture copper containing iminodiacetic acid and bispicolylamine as surface groups. Zirconium aminotris(methylenephosphonate) synthesized at a P:Zr molar ratio of 50:1 shows fast sorption kinetics and the best sorption properties. The maximum sorption capacity in pure copper solutions is 62.3 mg/g, and its affinity for copper ions is comparable to that of reference resins <i>(log K<sub>d</sub></i> = 2.7-3.9). Moreover, this sorbent can be easily regenerated with 1 M solutions of HCl, HNO<sub>3</sub>, or H<sub>2</sub>SO<sub>4</sub> (Cu<sup>2+</sup> recovery up to 95%).</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113369/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144160059","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}
引用次数: 0
Ecofriendly Water-Soluble Binders for Precision Ceramic Moulds in Aerospace Turbine Casting: Process Development and Performance Evaluation. 航空涡轮铸件中精密陶瓷模具的环保型水溶性粘合剂:工艺开发和性能评估。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102329
Marcin Małek, Marcin Wachowski, Janusz Kluczyński
{"title":"Ecofriendly Water-Soluble Binders for Precision Ceramic Moulds in Aerospace Turbine Casting: Process Development and Performance Evaluation.","authors":"Marcin Małek, Marcin Wachowski, Janusz Kluczyński","doi":"10.3390/ma18102329","DOIUrl":"10.3390/ma18102329","url":null,"abstract":"<p><p>The paper presents the development of an ecofriendly ceramic moulding system for the precision casting of aircraft turbine components from nickel superalloys using water-soluble binders. The motivation was to eliminate hydrolysed ethyl silicate (HES) due to its environmental and occupational hazards. Two water-based binders (K + M)-Keysol (for the primary layer) and Matrixsol (for the backup layers)-were evaluated against the standard HES-based system. A comprehensive comparative analysis was conducted including microstructure, phase composition, wettability, mechanical, thermal, and gas permeability properties. The developed K + M ceramic moulds achieved a bending strength of 12.4 MPa after annealing, average surface roughness (Ra) below 5 µm, and open porosity of 29.1%, indicating excellent strength and permeability. Thermal conductivity increased from 0.3 W/mK to 2.0 W/mK between 22 °C and 1400 °C. The wetting angle of water-based binders was higher (Keysol: ~36°) compared to HES (~5°), resulting in more stable surface morphology. Gas permeability was maintained at 5.6 × 10<sup>-9</sup> cm<sup>2</sup> at 1100 °C, ensuring effective degassing during casting. The results demonstrate that the K + M system can replace HES in production while improving safety and reducing environmental impact, making it suitable for industrial-scale implementation in the aerospace sector.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113352/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159905","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}
引用次数: 0
High-Temperature Mechanochemical Synthesis of Nano-ZrO2 for Enhanced Densification and Fracture Toughness in B4C Ceramics. 高温机械化学合成纳米zro2增强B4C陶瓷致密化和断裂韧性。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102332
Jingming Xu, Jinchao Jia, Binchuan Li, Daxue Fu, Chunxin Wang, Kuiren Liu, Shicheng Wei, Qing Han
{"title":"High-Temperature Mechanochemical Synthesis of Nano-ZrO<sub>2</sub> for Enhanced Densification and Fracture Toughness in B<sub>4</sub>C Ceramics.","authors":"Jingming Xu, Jinchao Jia, Binchuan Li, Daxue Fu, Chunxin Wang, Kuiren Liu, Shicheng Wei, Qing Han","doi":"10.3390/ma18102332","DOIUrl":"10.3390/ma18102332","url":null,"abstract":"<p><p>In this investigation, a novel process for the synthesis of nano-ZrO<sub>2</sub> powders based on high-temperature mechanochemical technology (HTMT) in a short process is proposed and HTMT nano-ZrO<sub>2</sub> enhancement mechanism as an additive on the properties of B<sub>4</sub>C ceramics was systematically investigated. ZrO(OH)<sub>2</sub> was used as a precursor, and ZrO<sub>2</sub>-B<sub>4</sub>C composites were prepared by optimizing the ball milling temperature and time in combination with the hot-press sintering technique. The results demonstrated that the high-temperature mechanical force causes the transition temperature of ZrO<sub>2</sub> from monoclinic to tetragonal crystal system to be decreased to 500 °C. The ZrO<sub>2</sub> treated by high-temperature ball milling at 600 °C/6 h exhibits lower microstress, higher crystallinity, and a particle size of only about 9.12 nm. HTMT nano-ZrO<sub>2</sub> effectively controls the size of in situ generated ZrB<sub>2</sub> particles in B<sub>4</sub>C ceramics, reduces interfacial porosity and grain coarsening, and promotes densification of B<sub>4</sub>C ceramics compared to commercially available nano-ZrO<sub>2</sub>. With the addition of 4 wt% HTMT nano-ZrO<sub>2</sub>, the composite showed optimal comprehensive properties: relative density of 99.75% (2.57 g/cm<sup>3</sup>), fracture toughness of 4.74 MPa/m<sup>1/2</sup>, flexural strength of 266.61 MPa, Vickers hardness of 31.14 GPa, and fracture mode with mixed mechanism of through-crystallization and along-crystallization.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12112788/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159929","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}
引用次数: 0
Magnetic Characteristics of FeSiB Cores in Motors Revealed by Experiment and Finite-Element Simulation. 实验与有限元模拟揭示了FeSiB磁芯在电机中的磁性特性。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102325
Meng Wang, Long Hou, Wenwei Ju, Yan Ma, Zhongkai Guo, Dianguo Ma, Lanju Liang, Haishun Liu, Weiming Yang
{"title":"Magnetic Characteristics of FeSiB Cores in Motors Revealed by Experiment and Finite-Element Simulation.","authors":"Meng Wang, Long Hou, Wenwei Ju, Yan Ma, Zhongkai Guo, Dianguo Ma, Lanju Liang, Haishun Liu, Weiming Yang","doi":"10.3390/ma18102325","DOIUrl":"10.3390/ma18102325","url":null,"abstract":"<p><p>Iron core loss (<i>P</i><sub>cm</sub>) is the main source of energy dissipation in motors, primarily affected by the stator material, which necessitates the optimization of soft-magnetic materials. In this work, the magnetic characteristics of FeSiB amorphous alloys and their influence on motors were systematically investigated via both experiment and finite-element simulation. It was found that the <i>P</i><sub>cm</sub> of the FeSiB core initially decreased significantly during heating but subsequently increased with a further temperature rise. In particular, after annealing at 460 °C for 10 min, the FeSiB core exhibited the lowest <i>P</i><sub>cm</sub> of 0.11 W/kg (50 Hz, 1 T) and 5.45 W/kg (1 kHz, 1 T), which correlated well with the changes in the magnetization. With the help of the finite-element analysis, the low <i>P</i><sub>cm</sub> of the motor using the FeSiB core was further demonstrated, and was closely associated with the dominance of the stator loss. Additionally, the magnetic flux density cloud and the related electromagnetic torque of the motor were comparatively analyzed to unveil the potential advantages of the current FeSiB core. This work provides an important theoretical basis for the design and development of amorphous/nanocrystalline motors.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113319/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159953","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}
引用次数: 0
Effects of Lanthanum Element and Heat Treatment on Phase Formation and Magnetic Properties of SmFe10V2 Melt-Spun Ribbons. 镧元素及热处理对SmFe10V2熔纺带相形成及磁性能的影响
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102322
Weiyi Ying, Zhengli Yang, Xiang Liu, Qingrong Yao, Jiang Wang
{"title":"Effects of Lanthanum Element and Heat Treatment on Phase Formation and Magnetic Properties of SmFe<sub>10</sub>V<sub>2</sub> Melt-Spun Ribbons.","authors":"Weiyi Ying, Zhengli Yang, Xiang Liu, Qingrong Yao, Jiang Wang","doi":"10.3390/ma18102322","DOIUrl":"10.3390/ma18102322","url":null,"abstract":"<p><p>The effects of the La element and heat treatment on the phase composition and magnetic properties of SmFe<sub>10</sub>V<sub>2</sub> melt-spun ribbons are studied by X-ray diffraction (XRD) and vibrating sample magnetometry (VSM). The XRD results show that the Sm<sub>1-<i>x</i></sub>La<i><sub>x</sub></i>Fe<sub>10</sub>V<sub>2</sub> (<i>x</i> = 0, 0.2, 0.4) and SmLa<i><sub>y</sub></i>Fe<sub>10</sub>V<sub>2</sub> (<i>y</i> = 0.1, 0.2, 0.3) melt-spun ribbons are composed of the 1:12 main phase with a ThMn<sub>12</sub> structure, α-Fe phase and α-La phase, and the phase formation of the SmLa<sub>0.2</sub>Fe<sub>10</sub>V<sub>2</sub> melt-spun ribbon is not changed after annealing at different temperatures (700-900 °C) and times (10-60 min). The XRD results indicate that La substitution in Sm<sub>1-<i>x</i></sub>La<i><sub>x</sub></i>Fe<sub>10</sub>V<sub>2</sub> ribbons has a negative effect on the formation of the 1:12 main phase, while the addition of a small amount of La into SmLa<i><sub>y</sub></i>Fe<sub>10</sub>V<sub>2</sub> ribbons does not affect the formation of the 1:12 main phase. The VSM measurements show that La substitution would result in decreases in the magnetic properties of Sm<sub>1-<i>x</i></sub>La<i><sub>x</sub></i>Fe<sub>10</sub>V<sub>2</sub> ribbons. With the increase in La substitution, the coercivity of the ribbon decreases to 2.7 kOe with <i>x</i> = 0.2 and 0.43 kOe with <i>x</i> = 0.4. However, the magnetic properties of SmLa<i><sub>y</sub></i>Fe<sub>10</sub>V<sub>2</sub> ribbons with a small amount of La (<i>y</i> = 0.2) are improved. Furthermore, the experimental results for the SmLa<sub>0.2</sub>Fe<sub>10</sub>V<sub>2</sub> ribbon after different heat treatments show that the magnetic properties become better initially and then become worse. Finally, the best magnetic properties (H<sub>cj</sub> = 5.12 kOe, B<sub>r</sub> = 6.89 kGs, M<sub>r</sub>/M<sub>s</sub> = 0.75, (BH)<sub>max</sub> = 6.78 MGOe) for the SmLa<sub>0.2</sub>Fe<sub>10</sub>V<sub>2</sub> ribbon are obtained after annealing at 800 °C for 10 min.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113397/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159583","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}
引用次数: 0
Liquid Moisture Transport in Single and Layered Cotton Woven Fabrics. 单层和分层棉织物中液体水分的输送。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102326
Małgorzata Matusiak, Joanna Szpunar
{"title":"Liquid Moisture Transport in Single and Layered Cotton Woven Fabrics.","authors":"Małgorzata Matusiak, Joanna Szpunar","doi":"10.3390/ma18102326","DOIUrl":"10.3390/ma18102326","url":null,"abstract":"<p><p>The transport of liquid sweat mainly concerns the material that is next to the skin during clothing usage. When the inner surface of the material closest to the skin is adjacent to another layer of clothing, the matter is not so clear-cut. In the case of the multilayer clothing, the outer layer receives the liquid sweat from the next-to-skin layer and transport it further to ambient air. The aim of this work was to analyze the transport of liquid moisture in multilayer sets. Measurements were performed using a Moisture Management Tester. The studies confirmed that as a result of adding another layer in the outward direction, the characteristics of the liquid moisture transport of the internal surface of the inner layer of a multilayer package change significantly. The novelty of the presented research is the demonstration that the transport of liquid moisture in the layer adjacent to human skin may change when the next-to-skin layer is not adjacent to ambient air but to textile material forming the next layer of clothing. The presented studies also proved that the transport of liquid moisture on the inner surface of the layer adjacent to the skin changes to different extents depending on the type of material used as the next outer layer of clothing.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12112796/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159902","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}
引用次数: 0
Catalytic Degradation of Organic Dyes Induced by Tribo-Electrification Between Insulating Films. 绝缘膜间摩擦电致有机染料催化降解研究。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102327
Junhao Li, Xuefeng Xu
{"title":"Catalytic Degradation of Organic Dyes Induced by Tribo-Electrification Between Insulating Films.","authors":"Junhao Li, Xuefeng Xu","doi":"10.3390/ma18102327","DOIUrl":"10.3390/ma18102327","url":null,"abstract":"<p><p>In this study, a contact-separation triboelectric catalytic device was designed and constructed to systematically investigate the underlying degradation mechanism. The device enabled precise control of the contact-separation process between frictional surfaces. Polytetrafluoroethylene (PTFE) and polyethylene terephthalate (PET) films were selected as the triboelectric pair, and methylene blue (MB) was used as the model organic pollutant. Experimental results demonstrated that the contact-separation process in an aqueous environment effectively promotes the degradation of organic dyes. For an MB solution with an initial concentration of 5 mg/L, a degradation efficiency of 40.34% was achieved within 3 h. Moreover, the device exhibited excellent repeatability and stability, with no significant decline in performance after 15 h of continuous operation. Control experiments confirmed that the degradation originates specifically from the contact-separation interaction between the PTFE and PET surfaces. Free radical quenching experiments identified superoxide radicals (·O<sub>2</sub><sup>-</sup>) and hydroxyl radicals (·OH) as the primary reactive species responsible for degradation. Based on these findings, a microscopic mechanism is proposed: during contact, triboelectric charging generates electrons (e<sup>-</sup>) and holes (h<sup>+</sup>) on the surfaces; upon separation, these charges interact with the solution-e<sup>-</sup> reduce dissolved oxygen to form ·O<sub>2</sub><sup>-</sup>, while h<sup>+</sup> oxidize hydroxide ions (OH<sup>-</sup>) to produce ·OH. The combined action of ·O<sub>2</sub><sup>-</sup> and ·OH ultimately results in the efficient degradation of MB.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113651/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159788","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}
引用次数: 0
Lignocellulosic Byproducts as Bio-Adsorbents for Lead Removal. 木质纤维素副产物作为生物吸附剂去除铅。
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102320
Morgana Macena, Helena Pereira, Lucas Grosche, Bruno Esteves, Isabel Santos-Vieira, Luísa Cruz-Lopes
{"title":"Lignocellulosic Byproducts as Bio-Adsorbents for Lead Removal.","authors":"Morgana Macena, Helena Pereira, Lucas Grosche, Bruno Esteves, Isabel Santos-Vieira, Luísa Cruz-Lopes","doi":"10.3390/ma18102320","DOIUrl":"10.3390/ma18102320","url":null,"abstract":"<p><p>Water pollution by toxic metals, especially by lead ions, is a serious environmental concern due to these metals' persistence, bioaccumulation, and toxicity. Aiming to reduce metal concentrations to non-toxic levels, this study analyzed the removal of lead from water through adsorption with bio-adsorbents. The adsorbent potential of the following four lignocellulosic byproducts were tested: walnut and chestnut shells, pine wood, and burnt pine wood. Removal rates of 97-99% were achieved at optimized conditions, i.e., at a pH of approximately 7, adsorbent dose of 4 g L<sup>-1</sup>, and 12 h of reaction. The BET specific surface area was between 1.74 and 4.85 m<sup>2</sup> g<sup>-1</sup>. The pore size of the wood bio-adsorbent was 26.54 nm, and those of the remaining materials were between 5.40 and 7.33 nm. With R<sup>2</sup> = 0.998-1.000, the kinetics fit the pseudo-second-order model better, suggesting that chemisorption is the dominant mechanism. Both Langmuir and Freundlich isothermal models fit the data well, with R<sup>2</sup> = 0.946-0.999. It can be concluded that all the bio-adsorbents tested have the potential to efficiently remove lead ions from water.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12113607/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159810","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}
引用次数: 0
Theoretical Insights into Hydrogen Production from Formic Acid Catalyzed by Pt-Group Single-Atom Catalysts. pt基单原子催化剂催化甲酸制氢的理论研究
IF 3.1 3区 材料科学
Materials Pub Date : 2025-05-16 DOI: 10.3390/ma18102328
Tao Jin, Sen Liang, Jiahao Zhang, Yaru Li, Yukun Bai, Hangjin Wu, Ihar Razanau, Kunming Pan, Fang Wang
{"title":"Theoretical Insights into Hydrogen Production from Formic Acid Catalyzed by Pt-Group Single-Atom Catalysts.","authors":"Tao Jin, Sen Liang, Jiahao Zhang, Yaru Li, Yukun Bai, Hangjin Wu, Ihar Razanau, Kunming Pan, Fang Wang","doi":"10.3390/ma18102328","DOIUrl":"10.3390/ma18102328","url":null,"abstract":"<p><p>The rational development of single-atom catalysts (SACs) for selective formic acid dehydrogenation (FAD) requires an atomic-scale understanding of metal-support interactions and electronic modulation. In this study, spin-polarized density functional theory (DFT) calculations were performed to systematically examine platinum-group SACs anchored on graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>). The findings reveal that Pd and Au SACs exhibit superior selectivity toward the dehydrogenation pathway, lowering the free energy barrier by 1.42 eV and 1.39 eV, respectively, compared to the competing dehydration route. Conversely, Rh SACs demonstrate limited selectivity due to nearly equivalent energy barriers for both reaction pathways. Stability assessments indicate robust metal-support interactions driven by d-p orbital hybridization, while a linear correlation is established between the d-band center position relative to the Fermi level and catalytic selectivity. Additionally, charge transfer (ranging from 0.029 to 0.467 e) substantially modulates the electronic structure of the active sites. These insights define a key electronic descriptor for SAC design and offer a mechanistic framework for optimizing selective hydrogen production.</p>","PeriodicalId":18281,"journal":{"name":"Materials","volume":"18 10","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12112991/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144159961","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}
引用次数: 0
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