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Numerical simulation of the effects of spraying parameters on the bow shock wave and atomized droplets deposition 喷射参数对船首激波及雾化液滴沉积影响的数值模拟
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-22 DOI: 10.1016/j.matchemphys.2025.130919
Jun Song , Wenjun Zhou , Wenhua Shang , Junpeng Li , Qi Zhang , Xuemei Yin , Juanfang Liu , Sailin Liu
{"title":"Numerical simulation of the effects of spraying parameters on the bow shock wave and atomized droplets deposition","authors":"Jun Song ,&nbsp;Wenjun Zhou ,&nbsp;Wenhua Shang ,&nbsp;Junpeng Li ,&nbsp;Qi Zhang ,&nbsp;Xuemei Yin ,&nbsp;Juanfang Liu ,&nbsp;Sailin Liu","doi":"10.1016/j.matchemphys.2025.130919","DOIUrl":"10.1016/j.matchemphys.2025.130919","url":null,"abstract":"<div><div>Silicon-based nanomaterials can effectively alleviate volume effects and are crucial for improving the capacity performance and cycling performance of existing lithium-ion batteries. Among various methods, cold spray deposition shows great potential in preparing high-performance silicon-based electrodes. However, traditional cold spray technology faces challenges in directly depositing nanopowders. One viable solution is to prepare nanopowders into nanosuspensions, atomize them into micron-sized droplets, and inject them into the nozzle, utilizing the droplets as carriers to achieve silicon nanopowder deposition. Based on this approach, this paper employs numerical simulation to study the effects of gas parameters (pressure, temperature), nozzle structural parameters (throat diameter, exit diameter, expansion ratio, divergent length, injection position and angle), and droplet composition (water content) on bow shock and impact velocity. The results show that the pressure of the driving gas and the geometric parameters of the nozzle will affect the bow shock near the substrate, and further affect the impact velocity of the droplets. Since the droplets is radially injected, there is a “hindering” effect between the powder feeding gas and the driving gas. The pressure of the driving gas not only affects the bow shock, but also affects the trajectory of the droplet movement. While the geometric parameters of the nozzle need to be comprehensively considered to weaken bow shock waves and increase impact velocity. Gas temperature has significant effects on atomized droplets deposition and the solidification and evaporation of droplets will affect droplet acceleration behavior. Droplet composition influences impact velocity primarily through composite density and evaporation behavior of droplets and appropriate droplet component ratios can effectively improve droplet impact velocity.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130919"},"PeriodicalIF":4.3,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860484","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}
引用次数: 0
Investigation of microstructure and mechanical properties of HfB2-HfC-TiC-B4C composites HfB2-HfC-TiC-B4C复合材料的显微组织和力学性能研究
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130927
Parisa Chenari , Zohre Balak , Vahideh Shahedifar
{"title":"Investigation of microstructure and mechanical properties of HfB2-HfC-TiC-B4C composites","authors":"Parisa Chenari ,&nbsp;Zohre Balak ,&nbsp;Vahideh Shahedifar","doi":"10.1016/j.matchemphys.2025.130927","DOIUrl":"10.1016/j.matchemphys.2025.130927","url":null,"abstract":"<div><div>To examine the microstructure and mechanical properties of boride-carbide composites, four quaternary composites with the following chemical compositions were synthesized: 70HfB2-10HfC-10TiC–10B4C (7HHTB), 70HfB2-10HfC-10TiC–10B4C/Nb (7HHTB/Nb), HfB2-HfC-TiC-B4C (HHTB), and HfB2-HfC-TiC-B4C/Nb (HHTB/Nb). These composites were densified using the spark plasma sintering (SPS) method at 2000 °C. The phase composition and microstructure were analyzed through X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM). The sintering performance of all composites was assessed by measuring relative density using the Archimedes method. Hardness and fracture toughness were determined via Vickers indentation and crack length measurements. The findings indicated that solid solutions of (Hf<sub>1-x</sub>Ti<sub>x</sub>) B<sub>2</sub> and (Hf<sub>1-x</sub>Ti<sub>x</sub>) C formed during sintering, with higher quantities present in composites with equal volume fractions of constituents compared to those with a 7:1:1:1 ratio, as well as in samples containing 2 wt% Nb versus those without. The highest fracture toughness recorded value was 5.7 MPa m<sup>0.5</sup>, with a maximum hardness of 30.6 GPa, for the fully dense HHTB/Nb composite, which also exhibited the finest grain size of 0.52 μm.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130927"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860481","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}
引用次数: 0
Preparation of mesoporous CeO2@MOF-5 abrasives for efficient polishing in chemical mechanical polishing 化学机械抛光中高效抛光用介孔CeO2@MOF-5磨料的制备
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130902
Jia Li , Hong Lei , Ruixing Yang
{"title":"Preparation of mesoporous CeO2@MOF-5 abrasives for efficient polishing in chemical mechanical polishing","authors":"Jia Li ,&nbsp;Hong Lei ,&nbsp;Ruixing Yang","doi":"10.1016/j.matchemphys.2025.130902","DOIUrl":"10.1016/j.matchemphys.2025.130902","url":null,"abstract":"<div><div>In chemical mechanical polishing (CMP), abrasives play a pivotal role in determining the material removal rate (MRR) and the resulting surface quality. While traditional cerium oxide (CeO<sub>2</sub>) abrasives suffer from limitations in dispersion stability and the removal of post-polishing residues, a novel mesoporous CeO<sub>2</sub>@MOF-5 composite abrasive was developed to enhance Ce<sup>3+</sup> ion concentration for improved polishing performance. The composite abrasives were structurally characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), and were found to exhibit hierarchical porosity and uniform morphology. X-ray photoelectron spectroscopy (XPS) analysis revealed an increased concentration of Ce<sup>3+</sup> ions compared to pure CeO<sub>2</sub>, which was attributed to the synergistic interaction between CeO<sub>2</sub> and the MOF-5 framework. CMP tests demonstrated that composites containing 2.00 wt% MOF-5 achieved optimal performance, attaining an MRR of 17.37 μm/h—representing a 39 % enhancement over pure CeO<sub>2</sub> abrasives (10.60 μm/h)—while simultaneously reducing the post-polishing surface roughness (Sa) to 0.31 nm, which was significantly lower than that of conventional CeO<sub>2</sub> (Sa = 1.81 nm). Wettability analysis via contact angle measurements showed enhanced slurry-substrate interactions for CeO<sub>2</sub>@MOF-5, and tribological studies revealed a higher dynamic friction coefficient that promoted increased interfacial shear stress. These combined effects enhance the mechanochemical synergy during CMP, thereby enabling both high efficiency and atomic-level surface finishing. This work offers a strategic pathway for developing next-generation composite abrasives with tunable chemical activity and mechanical robustness.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130902"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865233","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}
引用次数: 0
Template effect of α-Cr2O3 on lowering nucleation energy barrier of α-Al2O3 coating on WC-based cemented carbide by first principles and thermodynamic calculation 基于第一性原理和热力学计算,α-Cr2O3对降低wc基硬质合金α-Al2O3涂层成核能垒的模板效应
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130921
Lijun Xian , Hongyuan Fan , Guang Xian , Lin Li , Yingzhi Luo , Haibo Zhao
{"title":"Template effect of α-Cr2O3 on lowering nucleation energy barrier of α-Al2O3 coating on WC-based cemented carbide by first principles and thermodynamic calculation","authors":"Lijun Xian ,&nbsp;Hongyuan Fan ,&nbsp;Guang Xian ,&nbsp;Lin Li ,&nbsp;Yingzhi Luo ,&nbsp;Haibo Zhao","doi":"10.1016/j.matchemphys.2025.130921","DOIUrl":"10.1016/j.matchemphys.2025.130921","url":null,"abstract":"<div><div>α-Al<sub>2</sub>O<sub>3</sub> coating occupies a significant position in the domain of cutting tool coatings due to its superior thermal stability, exceptional wear resistance, and excellent corrosion resistance. In order to further broaden the application of α-Al<sub>2</sub>O<sub>3</sub> coating, α-Al<sub>2</sub>O<sub>3</sub> coating is deposited using the PVD method to circumvent the drawbacks of high temperature deposition associated with the CVD preparation and phase transformation-induced cracking. α-Cr<sub>2</sub>O<sub>3</sub> layer has been employed as a nucleation template for α-Al<sub>2</sub>O<sub>3</sub> coating to reduce the deposition temperature. This study investigates the role of α-Cr<sub>2</sub>O<sub>3</sub> layer as a template in the nucleation process of α-Al<sub>2</sub>O<sub>3</sub> coating through first-principles and thermodynamic calculations. The results show that the maximum nucleation energy barrier of α-Cr<sub>2</sub>O<sub>3</sub>(0001) on WC substrate is 23.00 eV/Å<sup>3</sup>, whereas that of α-Al<sub>2</sub>O<sub>3</sub>(0001) on the same substrate ranges from 43.56 to 47.39 eV/Å<sup>3</sup>. Besides, the nucleation energy barrier of α-Al<sub>2</sub>O<sub>3</sub>(0001) on α-Cr<sub>2</sub>O<sub>3</sub>(0001) is only 2.18 eV/Å<sup>3</sup>. Therefore, from the thermodynamic perspective, it is easier to obtain a crystalline α-Al<sub>2</sub>O<sub>3</sub> coating by depositing an α-Cr<sub>2</sub>O<sub>3</sub>(0001) template layer on WC-based cemented carbide substrate first and then depositing α-Al<sub>2</sub>O<sub>3</sub> coating on top of the template layer. These findings provide theoretical support for experimentally expanding the utilization of template effect of α-Cr<sub>2</sub>O<sub>3</sub> layer in nucleation of α-Al<sub>2</sub>O<sub>3</sub> coating.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130921"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860438","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}
引用次数: 0
Three-dimensional C–MoS2–NiFeO@NF nanohybrids as highly efficient bifunctional catalysts for overall water splitting 三维C-MoS2 - NiFeO@NF纳米杂化物作为高效的双功能水分解催化剂
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130914
Wenyue Zhang , Jing Sui , Guojin Sun , Ziqin Li , Qian Zhang , Jianhua Yu , Zhixing Gan , Lina Sui , Lifeng Dong
{"title":"Three-dimensional C–MoS2–NiFeO@NF nanohybrids as highly efficient bifunctional catalysts for overall water splitting","authors":"Wenyue Zhang ,&nbsp;Jing Sui ,&nbsp;Guojin Sun ,&nbsp;Ziqin Li ,&nbsp;Qian Zhang ,&nbsp;Jianhua Yu ,&nbsp;Zhixing Gan ,&nbsp;Lina Sui ,&nbsp;Lifeng Dong","doi":"10.1016/j.matchemphys.2025.130914","DOIUrl":"10.1016/j.matchemphys.2025.130914","url":null,"abstract":"<div><div>Creating cost-effective dual-functional catalysts that exhibit superior performance and durability is essential for the advancement of water splitting technology. In this study, C–MoS<sub>2</sub>–NiFeO composites were fabricated as bifunctional electrocatalysts on nickel foam (NF) through a combination of hydrothermal synthesis and furnace calcination. The resulting three-dimensional structure provides an abundance of catalytically active sites and enhances conductivity during electrochemical processes. As a result, the C–MoS<sub>2</sub>–NiFeO@NF electrode showcased remarkable performance in the oxygen evolution reaction, achieving a minimal overpotential of 260 mV at a current density of 100 mA cm<sup>−2</sup> and exhibiting a Tafel slope of 30 mV·dec<sup>−1</sup>. Moreover, the material displayed exceptional activity for the hydrogen evolution reaction, necessitating just 200 mV of overpotential to reach a current density of 100 mA cm<sup>−2</sup>, along with a Tafel slope of 55 mV·dec<sup>−1</sup>. These results underscore the potential of C–MoS<sub>2</sub>–NiFeO@NF as a promising dual functional catalyst for overall water splitting.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130914"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882299","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}
引用次数: 0
Scalable production of engineered bi-functional MnCO3 materials derived from low-grade resources for supercapacitive and OER application 可扩展生产的工程双功能MnCO3材料来源于低品位资源,用于超级电容和OER应用
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130909
Megha Dash , Satyaswini Sahu , T. Pavan Kumar , Mamata Mohapatra
{"title":"Scalable production of engineered bi-functional MnCO3 materials derived from low-grade resources for supercapacitive and OER application","authors":"Megha Dash ,&nbsp;Satyaswini Sahu ,&nbsp;T. Pavan Kumar ,&nbsp;Mamata Mohapatra","doi":"10.1016/j.matchemphys.2025.130909","DOIUrl":"10.1016/j.matchemphys.2025.130909","url":null,"abstract":"<div><div>Manganese-based electrode materials represent a burgeoning area of research, as manganese is earth-abundant, exhibits variable oxidation state and inexpensive. Additionally, it's conductivity, structural stability, purity, and facile bulk production from indigenous and affordable resources can pave a pathway for the development of sustainable multifunctional energy platforms. Herein, we propose the development of manganese carbonate (rMC) as bifunctional electroactive material from LGMOs using both inorganic and organic lixiviant. In the current process, manganese is selectively leached into the solution (&gt;90 %) while passivating iron and other impurities. The processed leached liquor is further utilized to recover rMC via a single step facile chemical precipitation method. As obtained rMC is utilized as electroactive material for both supercapacitor and oxygen evolution reactions (OER) application. At 1 A g<sup>−1</sup>, rMC showed high discharge specific capacitance of 194 F g<sup>−1</sup>. It also showed a capacitance retention of 90.7 % for 5000 GCD cycles at 5 A g<sup>-1</sup>. Further, a symmetric supercapacitor device was fabricated to establish the efficiency of rMC being used for practical applications. It showed discharge specific capacitance of 77 F g<sup>−1</sup> at 0.3 A g<sup>−1</sup>. In terms of OER, rMC exhibits Tafel slope of 151 mV dec<sup>−1</sup> at 10 mA cm<sup>−2</sup>. The present study shows the applicability of the low-grade resources to generate value added electrochemical bifunctional material for both supercapacitor and OER applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130909"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874891","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}
引用次数: 0
Passivation effect of potassium cation-18-crownether-6 on FAPbI3(001) perovskite surface: a first-principles study 钾阳离子-18-鸦腈-6对FAPbI3(001)钙钛矿表面钝化作用的第一性原理研究
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130917
Qiuli Zhang , Yu Zhuang , Abuduwayiti Aierken , Shurong Wang , Qiaogang Song , Qian Wang , Youbo Dou , Hongwen Zhang , Wenjing Lu , Shiyan Yang
{"title":"Passivation effect of potassium cation-18-crownether-6 on FAPbI3(001) perovskite surface: a first-principles study","authors":"Qiuli Zhang ,&nbsp;Yu Zhuang ,&nbsp;Abuduwayiti Aierken ,&nbsp;Shurong Wang ,&nbsp;Qiaogang Song ,&nbsp;Qian Wang ,&nbsp;Youbo Dou ,&nbsp;Hongwen Zhang ,&nbsp;Wenjing Lu ,&nbsp;Shiyan Yang","doi":"10.1016/j.matchemphys.2025.130917","DOIUrl":"10.1016/j.matchemphys.2025.130917","url":null,"abstract":"<div><div>Passivation treatment is an important way to reduce the defect density of perovskites, which has been proven to be highly effective in improving the long-term stability and high performance of perovskite solar cells (PSCs). In this work, the passivation effects of potassium cation-18-crownether-6 (18C6–K<sup>+</sup>) molecules on the surface defects of FAPbI<sub>3</sub>(001) were investigated by using first-principles calculations. The adsorption energy of 18C6–K<sup>+</sup> small molecule on the defective surface were calculated to be negative, indicating stable adsorption on the FAPbI<sub>3</sub>(001) surface. Calculations of defect energy levels showed that V<sub>I</sub> and I<sub>i</sub> defects are shallow-level defects, while I<sub>Pb</sub>, Pb<sub>I</sub>, and Pb<sub>i</sub> defects are deep-level defects. And V<sub>Pb</sub> acts as a deep-level defect on the PbI<sub>2</sub>-terminated surface, while as a shallow-level defect on the FAI-terminated surface. After 18C6–K<sup>+</sup> passivation, the defect formation energies of vacancy (V<sub>I</sub>), interstitial (Pb<sub>i</sub>), and antisite (Pb<sub>I</sub>) increased, suggesting inhibition of defects formation on the FAPbI<sub>3</sub>(001) surface. Work function analysis reveals that the introduction of 18C6–K<sup>+</sup> molecules facilitates electron transitions by reducing the work function and enhancing the alignment of energy levels. The TDOS analysis, combined with CDD calculations, indicates that the passivation mechanism by 18C6–K+ is predominantly due to interactions between iodine (I) and ether (C–<em>O</em>–C), rather than between lead (Pb) and ether. This process primarily serves to eliminate defect states and stabilize the perovskite surface structure. Thus, 18C6–K<sup>+</sup> molecule was suggested to be effective in passivating FAPbI<sub>3</sub> surface defects and enhancing the stability of perovskite solar cells.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130917"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860483","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}
引用次数: 0
Tailoring optical, dielectric, and magnetic properties of highly efficient visible-light LaFeO3 photocatalysts via Ca/Ba mono and Co-doping 通过Ca/Ba单极性和共掺杂调整高效可见光LaFeO3光催化剂的光学、介电和磁性能
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130916
Mohammed Ahmed Wahba , Mohamed Masoud Gad Abdelkader , E.H. El-Mossalamy
{"title":"Tailoring optical, dielectric, and magnetic properties of highly efficient visible-light LaFeO3 photocatalysts via Ca/Ba mono and Co-doping","authors":"Mohammed Ahmed Wahba ,&nbsp;Mohamed Masoud Gad Abdelkader ,&nbsp;E.H. El-Mossalamy","doi":"10.1016/j.matchemphys.2025.130916","DOIUrl":"10.1016/j.matchemphys.2025.130916","url":null,"abstract":"<div><div>Lanthanum ferrite (LaFeO<sub>3</sub>), a multifunctional perovskite, was systematically modified via A-site mono- and co-doping with Ca and Ba to enhance its structural, optical, magnetic, and photocatalytic properties. XRD confirmed successful doping, with Ba-doped samples showing the largest lattice expansion and Ca-doped samples exhibiting high crystallinity. SEM and TEM revealed nanosized materials and the doping-induced morphological variations, with co-doped samples displaying increased agglomeration and structural modifications. FTIR indicated shifts in Fe–O vibrations, suggesting bond strength alterations. XPS analysis of the C2B2LF (2 % Ca and 2 % Ba) sample confirmed the presence of Ca and Ba, verifying successful doping, and indicated the oxidation state of Fe as a mix of Fe<sup>3+</sup> and Fe<sup>4+</sup>, supporting its role in charge transfer processes. Optical analysis showed reduced band gaps (1.83–2.13 eV), with co-doped C2B2LF achieving the lowest value (1.83 eV) and enhanced visible-light absorption. Doping also influenced dielectric and magnetic properties, with BLF (4 %Ba-doped LaFeO<sub>3</sub>) showing the highest saturation magnetization (19.07 emu/g) and lowest coercivity, while CLF (4 %Ca-doped LaFeO<sub>3</sub>) exhibited the highest coercivity (194.46 Oe). C2B2LF demonstrated superior photocatalytic performance, achieving nearly complete dye degradation within 120 min, attributed to optimized band structure, improved charge separation, and enhanced reactive oxygen species formation. These results highlight the potential of doped LaFeO<sub>3</sub> for photocatalytic and environmental applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130916"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867757","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}
引用次数: 0
Preparation of carbon nanotube polymeric membranes with cross-linkable and antimicrobial agents for water applications 水用交联抗菌剂碳纳米管聚合物膜的制备
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130895
Georgia C. Lainioti , Ioannis Anastasopoulos , Amaia Soto Beobide , George A. Voyiatzis , Joannis K. Kallitsis
{"title":"Preparation of carbon nanotube polymeric membranes with cross-linkable and antimicrobial agents for water applications","authors":"Georgia C. Lainioti ,&nbsp;Ioannis Anastasopoulos ,&nbsp;Amaia Soto Beobide ,&nbsp;George A. Voyiatzis ,&nbsp;Joannis K. Kallitsis","doi":"10.1016/j.matchemphys.2025.130895","DOIUrl":"10.1016/j.matchemphys.2025.130895","url":null,"abstract":"<div><div>The incorporation of carbon nanotubes (CNTs) along with cross-linkable and antimicrobial agents into polymeric membranes represents a cutting-edge approach to enhance water purification. Nevertheless, CNT-polymeric membranes should accomplish uniform dispersion along with stable integration of CNTs in the membrane matrix, as at the same time should ensure antimicrobial functionality and high-water flux. Current reports have studied the incorporation of CNTs into membranes, but concerns like poor dispersion, aggregation, and lack of effective cross-linking mechanisms continue to be hurdles in the optimization of membranes’ performance.</div><div>In this work, different vinylic monomers -either hydrophobic methyl methacrylate (MMA) or cross-linkable glycidyl methacrylate (GMA)- were polymerized on properly modified CNTs using Atom Transfer Radical Polymerization (ATRP). The resulting CNTs, either multiwalled or thin-multiwalled, were embedded into porous PET/PES (polyethylene terephthalate/polyethersulfone) membranes. The influence of the attached groups on their dispersion efficiency and embedment into the pores was studied. The polymer-functionalized CNTs were further modified by incorporating antimicrobial quaternized salts through non-covalent attachment. The cross-linking reaction between CNTs modified with epoxy groups was thoroughly tested using ethylene diamine (EDA) as a cross-linker for the reaction between epoxide groups of GMA attached to CNT surfaces and the amines of EDA. Various cross-linking methods and the parameters temperature, reaction time and phase of cross-linker were tested through thermogravimetric analysis (TGA) and Scanning Electron Microscopy (SEM) to establish the optimal conditions. The results revealed successful embedding of CNTs with good distribution, as observed in the cross-section of the membranes, and effective cross-linking between GMA moieties and amines in the membrane pores. The incorporation and the cross-linking of CNTs into the PES membrane resulted in increased water flux, up to 572.4 L/m<sup>2</sup>h, of similar order of magnitude as those reported in relevant CNTs embedded membranes. The systematic optimization of the cross-linking conditions establishes a more robust method in terms of CNTs integration related to conventional embedding methods.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130895"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867759","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}
引用次数: 0
Correlative morphology effects on surface characteristics of hydrophilic h-MoS2 thin films 相关形态学对亲水性氢- mos2薄膜表面特性的影响
IF 4.3 3区 材料科学
Materials Chemistry and Physics Pub Date : 2025-04-21 DOI: 10.1016/j.matchemphys.2025.130870
Prachi Gurawal , Somdatta Singh , Gaurav Malik , Ravikant Adalati , Mohit Madaan , V.K. Malik , Ramesh Chandra
{"title":"Correlative morphology effects on surface characteristics of hydrophilic h-MoS2 thin films","authors":"Prachi Gurawal ,&nbsp;Somdatta Singh ,&nbsp;Gaurav Malik ,&nbsp;Ravikant Adalati ,&nbsp;Mohit Madaan ,&nbsp;V.K. Malik ,&nbsp;Ramesh Chandra","doi":"10.1016/j.matchemphys.2025.130870","DOIUrl":"10.1016/j.matchemphys.2025.130870","url":null,"abstract":"<div><div>Recently, two-dimensional transition metal dichalcogenides (TMDs) materials have gained significant attention due to their potential applications in gas sensing, energy storage, and optoelectronics. One of the key advantages of TMDs lies in their tunable properties with growth parameters, thereby improving the performance of specific applications. This study focuses on the impact of sputtering time on the growth of different surface morphologies. Molybdenum disulfide (MoS<sub>2</sub>) thin films have been synthesized on a silicon (100) substrate using a DC sputtering technique to evaluate the effects of growth parameters. The findings indicate the sputtering time-dependent surface morphologies, as confirmed by field emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM) results. An increase in the sputtering time leads to a transformation of the nanosphere surface structure into a nanoworms structure due to the surface particle aggregations. The X-ray diffraction (XRD) results confirm the hexagonal phase (H) of MoS<sub>2</sub>, while the Raman measurement validates the formation of multilayer thin films. Furthermore, the wetting properties of the resulting structures are evaluated using contact angle tests, and the experimental results are validated using the theoretical Wenzel and Cassie models. Consequently, the growth parameters-based tunability in surface structure may significantly enhance the performance of TMDs-based materials in practical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"341 ","pages":"Article 130870"},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855574","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}
引用次数: 0
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