Pub Date : 2025-02-13DOI: 10.1016/j.matchemphys.2025.130462
Adrián Osorio Hernández, Michael Goepel, David Poppitz, Roger Gläser
In order to understand the influence of a secondary pore system introduced into TS-1 as well as its method of introduction, the epoxidation of methyl oleate with H2O2 was investigated at 323 K in the liquid phase over microporous TS-1 as well as micro-/mesoporous TS-1 and micro-/macroporous TS-1. Micro/macroporous TS-1 outperforms conventional microporous TS-1 in catalytic activity, producing 4.2 epoxy methyl oleate molecules per Ti-atom versus 2.3 for conventional microporous TS-1. Micro-/macroporous TS-1 was successfully synthesized by steam-assisted crystallization (bottom-up approach) with macropores up to 350 nm. Mesoporosity was successfully introduced in the range between 2.7 and 4.2 nm by two top-down approaches, i.e., alkali treatment and surfactant templating. The latter results in an up to 4 times lower material loss while keeping a comparable catalytic activity. Most importantly, an increase in the pore size of the secondary pore system correlates with increased catalytic activity for pore sizes up to 350 nm was found.
{"title":"Influence of the secondary pore system on methyl oleate epoxidation using TS-1 with hierarchical pore system","authors":"Adrián Osorio Hernández, Michael Goepel, David Poppitz, Roger Gläser","doi":"10.1016/j.matchemphys.2025.130462","DOIUrl":"10.1016/j.matchemphys.2025.130462","url":null,"abstract":"<div><div>In order to understand the influence of a secondary pore system introduced into TS-1 as well as its method of introduction, the epoxidation of methyl oleate with H<sub>2</sub>O<sub>2</sub> was investigated at 323 K in the liquid phase over microporous TS-1 as well as micro-/mesoporous TS-1 and micro-/macroporous TS-1. Micro/macroporous TS-1 outperforms conventional microporous TS-1 in catalytic activity, producing 4.2 epoxy methyl oleate molecules per Ti-atom versus 2.3 for conventional microporous TS-1. Micro-/macroporous TS-1 was successfully synthesized by steam-assisted crystallization (bottom-up approach) with macropores up to 350 nm. Mesoporosity was successfully introduced in the range between 2.7 and 4.2 nm by two top-down approaches, i.e., alkali treatment and surfactant templating. The latter results in an up to 4 times lower material loss while keeping a comparable catalytic activity. Most importantly, an increase in the pore size of the secondary pore system correlates with increased catalytic activity for pore sizes up to 350 nm was found.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130462"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143403441","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}
Pub Date : 2025-02-13DOI: 10.1016/j.matchemphys.2025.130533
Ming Wang , Jianjun Cao , Pengfei Jia , Yiyi Zhang , Jiefeng Liu , Min Xu , Dachang Chen
High-voltage gas-insulated switchgear (GIS) experiences insulation aging and related issues during prolonged operation, which significantly reduces the stability and safety of energy power equipment. Therefore, real-time monitoring and assessment of the insulation condition of these devices is essential. This study, based on first-principles calculations, reveals the gas-sensitive properties of decomposition gases of SF6 and its five insulation defects on the surfaces of AlN and Pt2–AlN at the quantum level by calculating the electronic density (total electronic density, differential electronic density, and spin density), density of states (total and partial density of states), and the Integrated Crystal Orbital Hamilton Population (ICOHP). Notably, the modification of the Pt2 cluster significantly enhances the electronic properties of AlN, improving the overall conductivity of the system. Furthermore, the adsorption properties of the p-type semiconductor Pt2-ALN for H2S are improved, and calculations of the work function, band gap, and its rate of change indicate that the doped structure possesses the potential to be used as a sensor. Additionally, we explored the feasibility of AlN (targeting SO2) and Pt2–AlN (targeting H2S) as insulation defect warning materials under different environmental conditions. The results of the sensor application calculations demonstrate that AlN possesses the capability for SO2 purification and can function as a disposable embedded sensor array, while Pt2–AlN shows promise as a sustainable sensor material for H2S monitoring at room temperature (300 K), with a desorption time of 0.46 s. Our research aims to provide new insights into semiconductor sensor monitoring of SF6 gas-insulated equipment and offers guidance for the development of novel materials and sensor devices.
{"title":"Research on high-performance materials for adsorption and monitoring of SF6 and its decomposed gases: First principle DFT calculations","authors":"Ming Wang , Jianjun Cao , Pengfei Jia , Yiyi Zhang , Jiefeng Liu , Min Xu , Dachang Chen","doi":"10.1016/j.matchemphys.2025.130533","DOIUrl":"10.1016/j.matchemphys.2025.130533","url":null,"abstract":"<div><div>High-voltage gas-insulated switchgear (GIS) experiences insulation aging and related issues during prolonged operation, which significantly reduces the stability and safety of energy power equipment. Therefore, real-time monitoring and assessment of the insulation condition of these devices is essential. This study, based on first-principles calculations, reveals the gas-sensitive properties of decomposition gases of SF<sub>6</sub> and its five insulation defects on the surfaces of AlN and Pt<sub>2</sub>–AlN at the quantum level by calculating the electronic density (total electronic density, differential electronic density, and spin density), density of states (total and partial density of states), and the Integrated Crystal Orbital Hamilton Population (ICOHP). Notably, the modification of the Pt<sub>2</sub> cluster significantly enhances the electronic properties of AlN, improving the overall conductivity of the system. Furthermore, the adsorption properties of the p-type semiconductor Pt<sub>2</sub>-ALN for H<sub>2</sub>S are improved, and calculations of the work function, band gap, and its rate of change indicate that the doped structure possesses the potential to be used as a sensor. Additionally, we explored the feasibility of AlN (targeting SO<sub>2</sub>) and Pt<sub>2</sub>–AlN (targeting H<sub>2</sub>S) as insulation defect warning materials under different environmental conditions. The results of the sensor application calculations demonstrate that AlN possesses the capability for SO<sub>2</sub> purification and can function as a disposable embedded sensor array, while Pt<sub>2</sub>–AlN shows promise as a sustainable sensor material for H<sub>2</sub>S monitoring at room temperature (300 K), with a desorption time of 0.46 s. Our research aims to provide new insights into semiconductor sensor monitoring of SF<sub>6</sub> gas-insulated equipment and offers guidance for the development of novel materials and sensor devices.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130533"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428990","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}
Pub Date : 2025-02-13DOI: 10.1016/j.matchemphys.2025.130518
Ala Manohar , Krishnamoorthi Chintagumpala , S.V. Prabhakar Vattikuti , Bandar Ali Al-Asbahi , Naresh Mameda , Ki Hyeon Kim
The promising electrochemical properties of spinel ferrites have sparked considerable interest in their potential as supercapacitor electrode materials, driven by the growing demand for eco-friendly energy sources. In this study, the solvothermal reflux method was employed to synthesize CaxZn0.5-xMg0.5Fe2O4 for supercapacitor applications, with x = 0.15 designated as MgZnCaF1 and x = 0.25 as MgZnCaF2. Field emission scanning electron microscopy (FE-SEM) exposed average particle sizes of 14 nm for MgZnCaF1 and 15 nm for MgZnCaF2. Additionally, Brunauer-Emmett-Teller (BET) analysis indicated pore sizes of 24.3 nm for MgZnCaF1 and 37.8 nm for MgZnCaF2. The increased dopant concentration led to improved pore sizes, attributed to changes in nanoparticle shape and crystal structure. Electrochemical measurements demonstrated that the MgZnCaF2 electrode achieved a specific capacitance (Cs) of 66.8 Fg−1 at a current density (CD) of 0.5 Ag−1. These findings suggest that the MgZnCaF2 electrode holds significant potential for various energy storage applications.
{"title":"CaxZn0.5-xMg0.5Fe2O4 nanoparticles: A novel approach for supercapacitor applications","authors":"Ala Manohar , Krishnamoorthi Chintagumpala , S.V. Prabhakar Vattikuti , Bandar Ali Al-Asbahi , Naresh Mameda , Ki Hyeon Kim","doi":"10.1016/j.matchemphys.2025.130518","DOIUrl":"10.1016/j.matchemphys.2025.130518","url":null,"abstract":"<div><div>The promising electrochemical properties of spinel ferrites have sparked considerable interest in their potential as supercapacitor electrode materials, driven by the growing demand for eco-friendly energy sources. In this study, the solvothermal reflux method was employed to synthesize Ca<sub>x</sub>Zn<sub>0.5-x</sub>Mg<sub>0.5</sub>Fe<sub>2</sub>O<sub>4</sub> for supercapacitor applications, with x = 0.15 designated as MgZnCaF1 and x = 0.25 as MgZnCaF2. Field emission scanning electron microscopy (FE-SEM) exposed average particle sizes of 14 nm for MgZnCaF1 and 15 nm for MgZnCaF2. Additionally, Brunauer-Emmett-Teller (BET) analysis indicated pore sizes of 24.3 nm for MgZnCaF1 and 37.8 nm for MgZnCaF2. The increased dopant concentration led to improved pore sizes, attributed to changes in nanoparticle shape and crystal structure. Electrochemical measurements demonstrated that the MgZnCaF2 electrode achieved a specific capacitance (Cs) of 66.8 Fg<sup>−1</sup> at a current density (CD) of 0.5 Ag<sup>−1</sup>. These findings suggest that the MgZnCaF2 electrode holds significant potential for various energy storage applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"336 ","pages":"Article 130518"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444164","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}
Pub Date : 2025-02-13DOI: 10.1016/j.matchemphys.2025.130546
Animesh Kumar Basak , Keith Lightbody , Alokesh Pramanik
The current research delves into the behaviour of commonly used engineering materials, namely, mild steel (HA350), aluminium (Al5005), and stainless steel (SS316), while cut by fibre laser, in terms of surface roughness, hardness, laser affected area, and kerf width. This work offers a comprehensive analysis of the complex interplay between laser cutting parameters and material response. Research findings confirm that material properties significantly influence the outcomes of fibre laser cutting, affecting hardness, kerf width, and the laser-affected area, where defects, like splatters occur. It was found that the machined surface of the stainless steel and mild steel decreased in hardness by 22.7 % and 20.5 %, respectively. In contrast, a 46 % increase was noted for aluminium. In addition, thermal conductivity impacted the material's ability to produce a smoother surface. Finding a balance of laser power and speed to accommodate the material properties are important factors, which would impact material roughness.
{"title":"The effect of material intrinsic properties on the quality of machined surface during laser beam cutting","authors":"Animesh Kumar Basak , Keith Lightbody , Alokesh Pramanik","doi":"10.1016/j.matchemphys.2025.130546","DOIUrl":"10.1016/j.matchemphys.2025.130546","url":null,"abstract":"<div><div>The current research delves into the behaviour of commonly used engineering materials, namely, mild steel (HA350), aluminium (Al5005), and stainless steel (SS316), while cut by fibre laser, in terms of surface roughness, hardness, laser affected area, and kerf width. This work offers a comprehensive analysis of the complex interplay between laser cutting parameters and material response. Research findings confirm that material properties significantly influence the outcomes of fibre laser cutting, affecting hardness, kerf width, and the laser-affected area, where defects, like splatters occur. It was found that the machined surface of the stainless steel and mild steel decreased in hardness by 22.7 % and 20.5 %, respectively. In contrast, a 46 % increase was noted for aluminium. In addition, thermal conductivity impacted the material's ability to produce a smoother surface. Finding a balance of laser power and speed to accommodate the material properties are important factors, which would impact material roughness.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"336 ","pages":"Article 130546"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429267","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}
Pub Date : 2025-02-13DOI: 10.1016/j.matchemphys.2025.130542
Shawkat I. Shakil , Wiktor Bednarczyk , Marta Gajewska , Zaynab Mahbooba , Ankit Saharan , Meysam Haghshenas
In this study, an Al–Mg–Zr alloy was developed for laser powder bed fusion (LPBF) to fulfill the need for a cost-effective, high-strength additive manufactured (AM) aluminum alloy. To get to the peak strength a single-step aging treatment (6 h at 400 °C followed by gas quench) was conducted on the printed alloy. The quasi-static uniaxial tensile properties of aged LPBF Al–Mg–Zr were measured as yield strength (YS) of 390 ± 2 MPa, ultimate tensile strength (UTS) of 428 ± 2 MPa, and elongation to failure (EL) of 14.26 ± 0.94 %. Microstructure analyses via scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) displayed the presence of precipitates and a bimodal grain distribution with ultrafine (∼1 μm) and fine grains (∼5 μm). Detailed investigation through transmission electron microscopy (TEM) showed frequent precipitation of nanoscale L12-Al3Zr along with sub-micron Mn- and Fe-rich precipitates (i.e., orthorhombic Al6(Mn, Fe)) and nanoscale Mg- and O-rich particles. The work-hardening behavior of the studied LPBF Al–Mg–Zr alloy offered valuable insights into the connection between the microstructure and tensile properties.
{"title":"Metallurgical and Tensile Properties of a Laser Powder Bed Fused Scandium-free Al–Mg–Zr Alloy","authors":"Shawkat I. Shakil , Wiktor Bednarczyk , Marta Gajewska , Zaynab Mahbooba , Ankit Saharan , Meysam Haghshenas","doi":"10.1016/j.matchemphys.2025.130542","DOIUrl":"10.1016/j.matchemphys.2025.130542","url":null,"abstract":"<div><div>In this study, an Al–Mg–Zr alloy was developed for laser powder bed fusion (LPBF) to fulfill the need for a cost-effective, high-strength additive manufactured (AM) aluminum alloy. To get to the peak strength a single-step aging treatment (6 h at 400 °C followed by gas quench) was conducted on the printed alloy. The quasi-static uniaxial tensile properties of aged LPBF Al–Mg–Zr were measured as yield strength (YS) of 390 ± 2 MPa, ultimate tensile strength (UTS) of 428 ± 2 MPa, and elongation to failure (EL) of 14.26 ± 0.94 %. Microstructure analyses via scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) displayed the presence of precipitates and a bimodal grain distribution with ultrafine (∼1 μm) and fine grains (∼5 μm). Detailed investigation through transmission electron microscopy (TEM) showed frequent precipitation of nanoscale L1<sub>2</sub>-Al<sub>3</sub>Zr along with sub-micron Mn- and Fe-rich precipitates (i.e., orthorhombic Al<sub>6</sub>(Mn, Fe)) and nanoscale Mg- and O-rich particles. The work-hardening behavior of the studied LPBF Al–Mg–Zr alloy offered valuable insights into the connection between the microstructure and tensile properties.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130542"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428991","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}
Rechargeable Zn-ion batteries are attractive energy storage devices owing to their high specific capacity, high cell voltage, eco-friendliness, and low cost. It is being used in various applications ranging from bulk to small flexible and wearable applications. In this work, the sphere-like morphology of β-MnO2 has been synthesized and used as a cathode in Zn-ion cells. The electrochemical half-cell performance of β-MnO2 has been analyzed using a lab-scale three-electrode setup using 1 M ZnSO4 electrolyte. Further, the pouch-type full cell having a 2 × 2 cm2 area has been fabricated and tested at different C-rates. Zn-ion pouch cell delivers a high specific capacity of 218.42 mAh g−1 at 64 mA g−1. The cycle stability of the cell has been carried out by continuously running the 250 galvanostatic charge-discharge cycles at 483 mA g−1 current density. The pouch cell showed a specific capacity retention of 81.11 % at the 250th cycle at a coulombic efficiency of 99 %. On the other hand, the effect of MnSO4 on the ZnSO4 has been studied using a coin cell (CR-2032) where the cell delivers as high as the specific capacity of 245.8 mAh g−1 at the current density of 64 mA g−1. β-MnO2 micro sphere-based Zinc ion cells delivered good electrochemical performance in both coin and pouch cell configurations. Therefore, β-MnO2 will be a potential cathode for aqueous rechargeable Zn-ion storage applications due to their good cycle life, good rate capability, and high specific energy.
{"title":"β - MnO2 as a superior insertion cathode for high-energy aqueous Zn-ion storage applications","authors":"Udayagiri Saibabu , Madeshwaran Mohanraj , Chengaloor Arun , Senthilkumar Ramasamy , Mani Ulaganathan","doi":"10.1016/j.matchemphys.2025.130543","DOIUrl":"10.1016/j.matchemphys.2025.130543","url":null,"abstract":"<div><div>Rechargeable Zn-ion batteries are attractive energy storage devices owing to their high specific capacity, high cell voltage, eco-friendliness, and low cost. It is being used in various applications ranging from bulk to small flexible and wearable applications. In this work, the sphere-like morphology of β-MnO<sub>2</sub> has been synthesized and used as a cathode in Zn-ion cells. The electrochemical half-cell performance of β-MnO<sub>2</sub> has been analyzed using a lab-scale three-electrode setup using 1 M ZnSO<sub>4</sub> electrolyte. Further, the pouch-type full cell having a 2 × 2 cm<sup>2</sup> area has been fabricated and tested at different C-rates. Zn-ion pouch cell delivers a high specific capacity of 218.42 mAh g<sup>−1</sup> at 64 mA g<sup>−1</sup>. The cycle stability of the cell has been carried out by continuously running the 250 galvanostatic charge-discharge cycles at 483 mA g<sup>−1</sup> current density. The pouch cell showed a specific capacity retention of 81.11 % at the 250th cycle at a coulombic efficiency of 99 %. On the other hand, the effect of MnSO<sub>4</sub> on the ZnSO<sub>4</sub> has been studied using a coin cell (CR-2032) where the cell delivers as high as the specific capacity of 245.8 mAh g<sup>−1</sup> at the current density of 64 mA g<sup>−1</sup>. β-MnO<sub>2</sub> micro sphere-based Zinc ion cells delivered good electrochemical performance in both coin and pouch cell configurations. Therefore, β-MnO<sub>2</sub> will be a potential cathode for aqueous rechargeable Zn-ion storage applications due to their good cycle life, good rate capability, and high specific energy.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"336 ","pages":"Article 130543"},"PeriodicalIF":4.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436505","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}
Zirconia-barium titanate (ZB) composites are potential implants that would directly contact with living tissues. Improvements of the bioactivity, antibacterial properties, and adhesion of the implants to the tissues are considered as an interesting topic. In this study, two different patterns of laser texturing were applied to ZB composites. The effect of patterns was investigated in terms of varying laser powers (11, 13, and 15 W) and various line spacing (0.1, 0.3, and 0.5 mm) on water contact angle. The composition, wettability, and surface roughness of the prepared composites were characterized. Also, the improvement of biological performance (antibacterial activity, cell culture and viability, cell morphology) of ZB composites was assessed. Based on the results, the groove laser texturing favored surface hydrophilicity, while, grid laser pattern induced hydrophobicity to the surface. The laser-patterned ZB composites showed a higher surface roughness than the non-patterned sample. The result showed that surface pattern affects not only viability, but also osteoblast differentiation, adhesion, and morphology. The cells cultured on micro-grid and micro-groove surfaces for 3 and 7 days showed a noticeable difference in cell morphology. However, it was clear that the micro-grid patterned surface supported better adhesion, leading to a higher cell density. Grid laser pattern was a promising approach for reducing bacterial colonization on the ZB surface.
{"title":"Laser patterns on the surface properties of 3YSZ-Barium titanate composites; investigating its antibacterial properties and cellular response","authors":"Majid Kaboosi , Hudsa Majidian , Leila Nikzad , Arash Ghalandarzadeh , Farshad Farajnezhad","doi":"10.1016/j.matchemphys.2025.130535","DOIUrl":"10.1016/j.matchemphys.2025.130535","url":null,"abstract":"<div><div>Zirconia-barium titanate (ZB) composites are potential implants that would directly contact with living tissues. Improvements of the bioactivity, antibacterial properties, and adhesion of the implants to the tissues are considered as an interesting topic. In this study, two different patterns of laser texturing were applied to ZB composites. The effect of patterns was investigated in terms of varying laser powers (11, 13, and 15 W) and various line spacing (0.1, 0.3, and 0.5 mm) on water contact angle. The composition, wettability, and surface roughness of the prepared composites were characterized. Also, the improvement of biological performance (antibacterial activity, cell culture and viability, cell morphology) of ZB composites was assessed. Based on the results, the groove laser texturing favored surface hydrophilicity, while, grid laser pattern induced hydrophobicity to the surface. The laser-patterned ZB composites showed a higher surface roughness than the non-patterned sample. The result showed that surface pattern affects not only viability, but also osteoblast differentiation, adhesion, and morphology. The cells cultured on micro-grid and micro-groove surfaces for 3 and 7 days showed a noticeable difference in cell morphology. However, it was clear that the micro-grid patterned surface supported better adhesion, leading to a higher cell density. Grid laser pattern was a promising approach for reducing bacterial colonization on the ZB surface.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130535"},"PeriodicalIF":4.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419414","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}
Pub Date : 2025-02-12DOI: 10.1016/j.matchemphys.2025.130545
C.P. Jinsi, N. Hamna, M.S. Meenu, Anu Avarachan, Akhil Varghese, Riju C. Issac
Development of transparent heat reflecting, hence energy-saving windows using cost-effective materials has a pivotal role in interior temperature control of buildings, especially considering the regular growth in ambient temperature globally. The present article focuses on developing polymer/metal/polymer transparent heat reflection (THR) multilayer coatings on glass substrates. We have used polyvinyl alcohol as the polymer and copper films as metal coatings in the three-layer stack that was fabricated. We investigate the structure, uniformity, continuity, and optical properties of PVA/Cu/PVA multilayers using Field Emission Scanning Electron Microscope, ellipsometry, stylus profilometer, and UV-VIS-NIR spectrophotometer. The optical modeling using COMSOL Multiphysics software optimizes individual layer thickness. Annealing at 70 °C enhances the THR property and improves crystallinity. Samples annealed at 70 °C for 30 min with 95 nm thick PVA (2w/v %) and Cu of 15 nm thickness show maximum optical transmittance of 76.6 % in the visible band centered at 605 nm while transmitting only ≈ 9.2 % at 2000 nm in the infrared region. The high visible transmittance and low infrared transmittance of the PVA/Cu/PVA multilayer have the potential for energy-saving smart window applications.
{"title":"Transparent heat reflecting PVA/Cu/PVA photonic structures for energy saving smart windows","authors":"C.P. Jinsi, N. Hamna, M.S. Meenu, Anu Avarachan, Akhil Varghese, Riju C. Issac","doi":"10.1016/j.matchemphys.2025.130545","DOIUrl":"10.1016/j.matchemphys.2025.130545","url":null,"abstract":"<div><div>Development of transparent heat reflecting, hence energy-saving windows using cost-effective materials has a pivotal role in interior temperature control of buildings, especially considering the regular growth in ambient temperature globally. The present article focuses on developing polymer/metal/polymer transparent heat reflection (THR) multilayer coatings on glass substrates. We have used polyvinyl alcohol as the polymer and copper films as metal coatings in the three-layer stack that was fabricated. We investigate the structure, uniformity, continuity, and optical properties of PVA/Cu/PVA multilayers using Field Emission Scanning Electron Microscope, ellipsometry, stylus profilometer, and UV-VIS-NIR spectrophotometer. The optical modeling using COMSOL Multiphysics software optimizes individual layer thickness. Annealing at 70 °C enhances the THR property and improves crystallinity. Samples annealed at 70 °C for 30 min with 95 nm thick PVA (2w/v %) and Cu of 15 nm thickness show maximum optical transmittance of 76.6 % in the visible band centered at 605 nm while transmitting only ≈ 9.2 % at 2000 nm in the infrared region. The high visible transmittance and low infrared transmittance of the PVA/Cu/PVA multilayer have the potential for energy-saving smart window applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"336 ","pages":"Article 130545"},"PeriodicalIF":4.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436607","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}
Pub Date : 2025-02-11DOI: 10.1016/j.matchemphys.2025.130532
Huan Liu , Yichen Dou , Jiawei Wei , Shiqi Xiao , Shue Jin , Li Yuan , Jing Wen , Jiangshan Liu , Yubao Li , Jidong Li
Osteochondral defects present a formidable challenge within the realm of orthopedic medicine. The burgeoning field of tissue engineering holds potential for the amelioration of these injuries. In this vein, we meticulously engineered an integrated osteochondral repair scaffold by combining a short-cut fiber-reinforced hydrogel as a cartilaginous layer with 3D printed scaffold as bone layer. The cartilaginous layer hydrogel is composed of sodium alginate (Alg) and hyaluronic acid (HA), which are similar to the extracellular matrix of chondrocytes. The incorporation of 25 wt% short-cut fibers into the hydrogel substantially enhanced its mechanical integrity and fostered in vitro proliferation and adhesion of bone marrow stromal cells (BMSCs). The bone layer of polylactic glycolic acid copolymer (PLGA)/nano-hydroxyapatite (n-HA)/gelatin (Gel) gradient scaffold (PHG) was successfully prepared by constructing Gel network in 3D printed PLGA/n-HA framework. A PHG scaffold semi-immersed in hydrogel forms a comb-toothed interlocking structure with the hydrogel to simulate the bone-cartilage interface at the natural knee joint of the human body. In vivo examinations of osteochondral defect repair corroborate that the integrated scaffold, enriched with 25 % short-cut fibers, efficaciously promotes simultaneous regeneration of cartilage and subchondral bone. Collectively, our findings advocate that the combination of 3D-printed scaffolds and hydrogels could be a promising candidate for functional osteochondral regeneration.
{"title":"Fiber-reinforced hydrogel combined with 3D printed scaffolds for regeneration of osteochondral defects","authors":"Huan Liu , Yichen Dou , Jiawei Wei , Shiqi Xiao , Shue Jin , Li Yuan , Jing Wen , Jiangshan Liu , Yubao Li , Jidong Li","doi":"10.1016/j.matchemphys.2025.130532","DOIUrl":"10.1016/j.matchemphys.2025.130532","url":null,"abstract":"<div><div>Osteochondral defects present a formidable challenge within the realm of orthopedic medicine. The burgeoning field of tissue engineering holds potential for the amelioration of these injuries. In this vein, we meticulously engineered an integrated osteochondral repair scaffold by combining a short-cut fiber-reinforced hydrogel as a cartilaginous layer with 3D printed scaffold as bone layer. The cartilaginous layer hydrogel is composed of sodium alginate (Alg) and hyaluronic acid (HA), which are similar to the extracellular matrix of chondrocytes. The incorporation of 25 wt% short-cut fibers into the hydrogel substantially enhanced its mechanical integrity and fostered in vitro proliferation and adhesion of bone marrow stromal cells (BMSCs). The bone layer of polylactic glycolic acid copolymer (PLGA)/nano-hydroxyapatite (n-HA)/gelatin (Gel) gradient scaffold (PHG) was successfully prepared by constructing Gel network in 3D printed PLGA/n-HA framework. A PHG scaffold semi-immersed in hydrogel forms a comb-toothed interlocking structure with the hydrogel to simulate the bone-cartilage interface at the natural knee joint of the human body. In vivo examinations of osteochondral defect repair corroborate that the integrated scaffold, enriched with 25 % short-cut fibers, efficaciously promotes simultaneous regeneration of cartilage and subchondral bone. Collectively, our findings advocate that the combination of 3D-printed scaffolds and hydrogels could be a promising candidate for functional osteochondral regeneration.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130532"},"PeriodicalIF":4.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418836","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}
Pub Date : 2025-02-11DOI: 10.1016/j.matchemphys.2025.130523
Galina Kuz'micheva , Ivan Akin'shin , Roman Svetogorov , Evgeny Khramov , Ratibor Chumakov , Quang Nguyen , Elena Domoroshchina
In this work, the results of studying the composition (bulk and surface), structure (crystal and local) and biocidal properties of metal-organic frameworks (MOFs) based on benzene-1,3,5-tricarboxylic acid (H3BTC), called MBTC (M = Fe, Mn, Co, Ni, Cu, Zn; M2+Cl2·4H2O precursor), obtained by a hydrothermal method under the same process conditions were presented. XRPD, XAS, XPS, SEM, and FTIR methods were used. The formal charge (FC) was determined for Fe3+, Cu2+ (Jahn-Teller ion), Zn2+ and, for the first time, a mixed FC was determined for Co(3,2)+, Ni(3,2)+ and Mn(3,2)+ (with a higher content of Mn3+ Jahn-Teller ions). It was shown that in the M - BTC system, depending on FCM, MOFs with different types of structures are formed (MIL-100 with Fe, sp. gr. Fd3m; HKUST-1 with Cu, sp. gr. Fm3m; MBTC with M = Mn, Co, Ni, sp. gr. P ; MBTC with Zn, sp. gr. C2), in which the coordination environment of M ions is different. The results obtained made it possible to divide MOF structures into 4 groups depending on the nature of the М metals. This allows predicting the topological structural types of MBTC based on the electronic structure of М ions. The results of studying the antimicrobial activity of MBTCs indicate a possible connection between the biocidal properties of bacteria and the electronic structure of M.
本研究介绍了在相同工艺条件下通过水热法获得的基于苯-1,3,5-三羧酸（H3BTC）的金属有机框架（MOFs）（MBTC（M = Fe、Mn、Co、Ni、Cu、Zn；M2+Cl2-4H2O 前体））的组成（块体和表面）、结构（晶体和局部）和杀菌性能的研究结果。使用了 XRPD、XAS、XPS、SEM 和 FTIR 方法。测定了 Fe3+、Cu2+（Jahn-Teller 离子）、Zn2+ 的形式电荷 (FC)，并首次测定了 Co(3,2)+、Ni(3,2)+ 和 Mn(3,2)+（Mn3+ Jahn-Teller 离子含量较高）的混合 FC。研究表明，在 M - BTC 体系中，根据 FCM 的不同，会形成具有不同结构类型的 MOFs（MIL-100，含铁，sp.Fd3m; HKUST-1 with Cu, sp.Fm3m；MBTC，M = Mn、Co、Ni，Sp. Gr. P 3‾；MBTC，Zn，Sp. Gr. C2），其中 M 离子的配位环境各不相同。根据М金属的性质，所获得的结果可以将 MOF 结构分为 4 组。这样就可以根据М离子的电子结构预测 MBTC 的拓扑结构类型。对甲基溴四氯化碳抗菌活性的研究结果表明，细菌的杀菌特性与М离子的电子结构之间可能存在联系。
{"title":"Impact of transition metals (M=Mn, Fe, Co, Ni, Cu, Zn) on the formation of local and crystal structure of MBTC phases","authors":"Galina Kuz'micheva , Ivan Akin'shin , Roman Svetogorov , Evgeny Khramov , Ratibor Chumakov , Quang Nguyen , Elena Domoroshchina","doi":"10.1016/j.matchemphys.2025.130523","DOIUrl":"10.1016/j.matchemphys.2025.130523","url":null,"abstract":"<div><div>In this work, the results of studying the composition (bulk and surface), structure (crystal and local) and biocidal properties of metal-organic frameworks (MOFs) based on benzene-1,3,5-tricarboxylic acid (H<sub>3</sub>BTC), called <em>M</em>BTC (<em>M</em> = Fe, Mn, Co, Ni, Cu, Zn; <em>M</em><sup>2+</sup>Cl<sub>2</sub>·4H<sub>2</sub>O precursor), obtained by a hydrothermal method under the same process conditions were presented. XRPD, XAS, XPS, SEM, and FTIR methods were used. The formal charge (FC) was determined for Fe<sup>3+</sup>, Cu<sup>2+</sup> (Jahn-Teller ion), Zn<sup>2+</sup> and, for the first time, a mixed FC was determined for Co<sup>(3,2)+</sup>, Ni<sup>(3,2)+</sup> and Mn<sup>(3,2)+</sup> (with a higher content of Mn<sup>3+</sup> Jahn-Teller ions). It was shown that in the <em>M</em> - BTC system, depending on FC<em>M</em>, MOFs with different types of structures are formed (MIL-100 with Fe, sp. gr. Fd3m; HKUST-1 with Cu, sp. gr. Fm3m; <em>M</em>BTC with <em>M</em> = Mn, Co, Ni, sp. gr. P <span><math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span>; <em>M</em>BTC with Zn, sp. gr. C2), in which the coordination environment of <em>M</em> ions is different. The results obtained made it possible to divide MOF structures into 4 groups depending on the nature of the <em>М</em> metals. This allows predicting the topological structural types of <em>M</em>BTC based on the electronic structure of <em>М</em> ions. The results of studying the antimicrobial activity of <em>M</em>BTCs indicate a possible connection between the biocidal properties of bacteria and the electronic structure of <em>M</em>.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130523"},"PeriodicalIF":4.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418830","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}
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