Journal of Materials Science最新文献

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Enhanced interfacial interaction of basalt fiber/PP composites by in-situ grown ZnO nanorods: preparation, structure, property and mechanistic study 原位生长ZnO纳米棒增强玄武岩纤维/PP复合材料的界面相互作用:制备、结构、性能及机理研究
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-05 DOI: 10.1007/s10853-024-10480-3
Zuoxian She, Guanxi Zhao, Ming Li, Pan He, Yuanchao Jiang, Zhongzui Wang, Guangzhao Li, Hong Jiang, Rui Han, Shuai Zhang
{"title":"Enhanced interfacial interaction of basalt fiber/PP composites by in-situ grown ZnO nanorods: preparation, structure, property and mechanistic study","authors":"Zuoxian She,&nbsp;Guanxi Zhao,&nbsp;Ming Li,&nbsp;Pan He,&nbsp;Yuanchao Jiang,&nbsp;Zhongzui Wang,&nbsp;Guangzhao Li,&nbsp;Hong Jiang,&nbsp;Rui Han,&nbsp;Shuai Zhang","doi":"10.1007/s10853-024-10480-3","DOIUrl":"10.1007/s10853-024-10480-3","url":null,"abstract":"<div><p>Basalt fiber (BF) is a new type of environmentally friendly high-performance fiber, but the smooth and chemically inert surface limits its practical application. In order to increase the interfacial interaction of the BF based composites, ZnO nanorods were in-situ grown on the BF by hydrothermal method. Polymer composites based on polypropylene (PP) and modified BF were prepared by melt blending and micro injection molding. The structure and properties of the composites were investigated in detail and a three-dimensional representative volume element (RVE) model was applied to verify the effect of ZnO nanorods on the interfacial failure behavior of the composites. The results showed that the growth of ZnO nanorods increased the transverse strain of interfacial debonding and altered the damage pattern of the composites. Specifically, the rod-like ZnO enhanced the surface roughness and specific surface area of BF, produced higher shear force during micro injection molding process, caused more physical interlock and entanglement in the composites. As the result, the interface thickness, crystallinity and crystal orientation were increased. Consequently, the mechanical strength of the composites improved.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22073 - 22090"},"PeriodicalIF":3.5,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811143","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
Influence of welding methods on the microstructure of nickel-based weld metal for liquid hydrogen tanks 焊接方法对液氢罐镍基焊缝金属组织的影响
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-05 DOI: 10.1007/s10853-024-10505-x
Chenjun Yu, Tomoya Kawabata, Shigetoshi Kyouno, Xixian Li, Shohei Uranaka, Daiki Maeda
{"title":"Influence of welding methods on the microstructure of nickel-based weld metal for liquid hydrogen tanks","authors":"Chenjun Yu,&nbsp;Tomoya Kawabata,&nbsp;Shigetoshi Kyouno,&nbsp;Xixian Li,&nbsp;Shohei Uranaka,&nbsp;Daiki Maeda","doi":"10.1007/s10853-024-10505-x","DOIUrl":"10.1007/s10853-024-10505-x","url":null,"abstract":"<div><p>This study investigates the microstructure and hardness of weld metals used in liquid hydrogen storage tanks, with a focus on the effects of three welding methods: Gas Tungsten Arc Welding (GTAW), Submerged Arc Welding (SAW), and Shielded Metal Arc Welding (SMAW). Finite element simulations were employed to model the temperature field during welding, aiding in the explanation of observed microstructural differences. The results show that while GTAW and SMAW produce weld metals with similar microstructures, SAW generates significantly larger grains with a pronounced preferential orientation. The use of weaving techniques play a key role in shaping the solidification microstructures. Additionally, the hardness of the weld metal is comparable to that of the base material, with a slight reduction corresponding to increased grain size. This research offers valuable insights into optimizing welding processes for liquid hydrogen storage tanks by addressing the microstructural characteristics that influence weld joint performance.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22310 - 22326"},"PeriodicalIF":3.5,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10853-024-10505-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811141","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
A platform of gold nanoparticles coated with silica as controlled drug delivery for application in cancer treatment 一种包覆二氧化硅的金纳米颗粒平台,用于癌症治疗中的药物控制
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-04 DOI: 10.1007/s10853-024-10490-1
Isabela Barreto da Costa Januário Meireles, André Felipe Oliveira, Michele Angela Rodrigues, Edésia Martins Barros de Sousa
{"title":"A platform of gold nanoparticles coated with silica as controlled drug delivery for application in cancer treatment","authors":"Isabela Barreto da Costa Januário Meireles,&nbsp;André Felipe Oliveira,&nbsp;Michele Angela Rodrigues,&nbsp;Edésia Martins Barros de Sousa","doi":"10.1007/s10853-024-10490-1","DOIUrl":"10.1007/s10853-024-10490-1","url":null,"abstract":"<div><p>The optical properties of gold nanoparticles are widely investigated with interest in their application in photohyperthermia cancer treatments. Coating these nanoparticles with MCM-41 silica not only protects the gold nanoparticles but also has the potential for use as a nanocarrier, because of its textural properties. This nanocarrier allows the incorporation of drugs, such as methotrexate (MTX), for use in chemotherapy. Therefore, this nanoplatform shows promise for the treatment of cancer by photohyperthermia and chemotherapy, making the therapy more targeted and effective. This study aimed to investigate the incorporation and release of MTX from a nanoplatform of gold nanoparticles coated with MCM-41, which presents relevant properties for application in photohyperthermia treatments. The results showed that the proposed nanosystem has high cell viability and low cytotoxicity, indicating its potential for application in biological systems. Furthermore, our findings demonstrated that FITC-conjugated MCM-41 nanoparticles were internalized by the cells. Additionally, it was observed that nanomaterials containing MTX showed high cytotoxicity only to tumor cells and that these nanocarriers were taken up by cells, suggesting their specificity in cancer treatment. The synthesized nanocomposite shows promise for applications in cancer treatment through photohyperthermia and chemotherapy.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22181 - 22205"},"PeriodicalIF":3.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811073","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
Comparative investigation of surface-electrical properties of functionalized graphene and MXene thin films for CO2 gas sensing CO2气体传感用功能化石墨烯与MXene薄膜表面电学性能的比较研究
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-04 DOI: 10.1007/s10853-024-10440-x
Pradeep Kumar, Huzein Fahmi Hawari, Monika Gupta, Wei Xian Rebecca Leong, Mohamed Shuaib Mohamed Saheed, Goran M. Stojanović, Lila Iznita Izhar
{"title":"Comparative investigation of surface-electrical properties of functionalized graphene and MXene thin films for CO2 gas sensing","authors":"Pradeep Kumar,&nbsp;Huzein Fahmi Hawari,&nbsp;Monika Gupta,&nbsp;Wei Xian Rebecca Leong,&nbsp;Mohamed Shuaib Mohamed Saheed,&nbsp;Goran M. Stojanović,&nbsp;Lila Iznita Izhar","doi":"10.1007/s10853-024-10440-x","DOIUrl":"10.1007/s10853-024-10440-x","url":null,"abstract":"<div><p>Nowadays, CO<sub>2</sub> detection has become significant in many applications such as monitoring of air quality and human health. CO<sub>2</sub> sensors are majorly based on solid-state materials, but they require high operating temperatures. Recently, two-dimensional materials have been explored to achieve room-temperature CO<sub>2</sub> detection. Among them, graphene and MXene gained attraction owing to their outstanding chemical and electronic properties. Sensing materials’ properties such as surface and electrical properties are very crucial to achieve highly sensitive gas sensors. In this work, we comprehensively investigate and compare the impact of surface-electrical properties of graphene and MXene on their CO<sub>2</sub> sensors’ performance. Initially, we synthesize and characterize the surface-electrical properties of functionalized graphene (FG) and Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene. Later, chemiresistive CO<sub>2</sub> gas sensors are fabricated with these materials as sensing layers and their performance is examined. From material characterizations, we find that MXene surface is more hydrophilic, showing 1.5-fold higher interfacial energy, and has ~ 1.2-fold higher electrical conductivity than FG, whereas FG demonstrates lower surface roughness and outstanding stability over the period. The sensing behavior of both sensors is found to be repeatable, selective, and reproducible. The CO<sub>2</sub> sensor with the MXene layer reveals a lower response/recovery time (12/17 s) than that of FG (32/43 s). Also, MXene-based sensor exhibits a 25% response, revealing a 6% higher gas response than FG-based sensor. However, from the stability point of view, FG sensor outperforms the MXene sensors. We believe this study is extremely beneficial in realizing highly efficient gas sensors for air quality and health monitoring.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22132 - 22148"},"PeriodicalIF":3.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811072","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
Unveiling the influence of nickel on the erosion and the tribological performance of AlSi-based abradable coatings 揭示了镍对铝基耐磨涂层的腐蚀和摩擦学性能的影响
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-04 DOI: 10.1007/s10853-024-10492-z
Bruno E. Arendarchuck, Kaue Bertuol, Francisco Rivadeneira, Bruno C. N. M. de Castilho, Barry Barnett, Christian Moreau, Pantcho Stoyanov
{"title":"Unveiling the influence of nickel on the erosion and the tribological performance of AlSi-based abradable coatings","authors":"Bruno E. Arendarchuck,&nbsp;Kaue Bertuol,&nbsp;Francisco Rivadeneira,&nbsp;Bruno C. N. M. de Castilho,&nbsp;Barry Barnett,&nbsp;Christian Moreau,&nbsp;Pantcho Stoyanov","doi":"10.1007/s10853-024-10492-z","DOIUrl":"10.1007/s10853-024-10492-z","url":null,"abstract":"<div><p>The efficiency of gas turbine engines can significantly be enhanced by reducing the clearance between stationary and rotating parts. AlSi-polymer composite abradable coatings are commonly employed for such applications to serve as sacrificial materials while maintaining the pressure within compressors and seals. However, these coatings can face premature failure during operation, particularly due to corrosion and erosion. More specifically, due to the ductile behavior of AlSi-polymer-based abradables, the erosion rates at low impingement angles are particularly high. Thus, there is a strong desire to develop an abradable system capable of maintaining high erosion resistance at various impingement angles while maintaining suitable abradability (i.e., high wear of the abradable during interaction with the blade tip). The main purpose of this study is to critically evaluate the influence of Ni in AlSi-polymer-based abradable coatings on their erosion and tribological performance. The AlSi-polymer powders were mechanically mixed to develop the powders that were subsequently deposited using atmospheric plasma spray (APS). Microstructure analysis using field emission scanning electron microscopy (FESEM) and HR15Y hardness tests was employed to assess the microstructural and mechanical properties of the coating. Ball-on-flat, ball-on-disk, and air jet erosion tests were performed, followed by ex situ surface analysis to elucidate the wear mechanism. The results revealed that the incorporation of Ni preserved the lamellar microstructure characteristic of AlSi and polyester abradable coatings, while concurrently decreasing average wear rates at lower impingement angles, as observed throughout the erosion tests.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22266 - 22282"},"PeriodicalIF":3.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811070","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
Magnesium-doped hydroxyapatite for application in the photocatalytic degradation of different dye mixtures simultaneously under sunlight irradiation 掺镁羟基磷灰石在太阳光照射下同时光催化降解不同染料混合物中的应用
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-04 DOI: 10.1007/s10853-024-10512-y
Mário A. M. Castro, Tanara C. N. Nicácio, Antônio C. N. Santos, Marlyson C. Viegas, Ricardo P. Souza, Maurício R. D. Bomio, Fabiana V. Motta
{"title":"Magnesium-doped hydroxyapatite for application in the photocatalytic degradation of different dye mixtures simultaneously under sunlight irradiation","authors":"Mário A. M. Castro,&nbsp;Tanara C. N. Nicácio,&nbsp;Antônio C. N. Santos,&nbsp;Marlyson C. Viegas,&nbsp;Ricardo P. Souza,&nbsp;Maurício R. D. Bomio,&nbsp;Fabiana V. Motta","doi":"10.1007/s10853-024-10512-y","DOIUrl":"10.1007/s10853-024-10512-y","url":null,"abstract":"<div><p>The search for efficient materials for cleaning water is still being explored today. With this objective, pure hydroxyapatite (HAp) was prepared in this work as a ceramic matrix doped with 1, 3 and 5% magnesium by a microwave-assisted hydrothermal method (MAH) aimed at photocatalytic application under sunlight irradiation. XRD and FTIR analyses showed that only HAp was obtained from all the samples, and Rietveld refinement indicated a reduced crystallite size and increased microstrain after Mg doping. Nanorod-like morphologies were observed after analysis by SEM-FEG, with a decrease in the length and width of the particles after inserting the dopant. The UV‒Vis results revealed that the HAp bandgap decreased to 3.75 eV after doping. The photoluminescence spectra showed that oxygen vacancies were generated in the presence of Mg, which also caused an increase in the specific surface area of HAp. Photocatalytic tests were conducted with mixtures of methylene blue, crystal violet and malachite green dyes. After 120 min of sunlight irradiation, the sample with 3% Mg obtained the best results, achieving up to 94% degradation of the dyes. Furthermore, reusability tests showed that there was a small reduction in photocatalytic efficiency after five cycles, without structural changes in the photocatalyst. Inhibition tests showed that superoxides and holes are the active radicals, and tests with inorganic anions revealed that carbonates, nitrates and sulphates promote degradation, while phosphates reduce photocatalytic performance. This work highlights the promising alternative application of hydroxyapatite for simultaneous efficient photodegradation of different pollutants using sustainable energy.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22053 - 22072"},"PeriodicalIF":3.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811071","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
Influence of moulding processing on poly (lactic acid) (PLA) semi-crystalline properties 成型工艺对聚乳酸半结晶性能的影响
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-04 DOI: 10.1007/s10853-024-10497-8
Giovanna Molinari, Laura Aliotta, Paola Parlanti, Mauro Gemmi, Andrea Lazzeri
{"title":"Influence of moulding processing on poly (lactic acid) (PLA) semi-crystalline properties","authors":"Giovanna Molinari,&nbsp;Laura Aliotta,&nbsp;Paola Parlanti,&nbsp;Mauro Gemmi,&nbsp;Andrea Lazzeri","doi":"10.1007/s10853-024-10497-8","DOIUrl":"10.1007/s10853-024-10497-8","url":null,"abstract":"<div><p>Poly (lactic acid) (PLA) is a bio-based and compostable polyester, widely employed in a variety of daily used products, being easily processed via the traditional manufacturing techniques, i.e., injection moulding (IM), compression moulding (CM), blow moulding (BM), etc. This study will be specifically focused on the impact of both IM and CM processing techniques on PLA characteristics, aiming to optimize these manufacturing procedures and ultimately improving its end-products features. By means of thermal, mechanical and microscopy analysis, the role of the different moulding techniques in influencing the PLA semi-crystalline development will be extensively investigated, also by correlating the related morphology with its macroscopical behavior. It will be observed that the polymer flow orientation during IM promotes the semi-crystalline development, as confirmed by Avrami analysis, XRD measurements, and TEM imaging. Moulded sample thickness, manufacturing pressure, and PLA granular consolidation that differ for the two moulding methodologies appear to be directly accountable for the detected faster crystallization kinetics during IM when compared to the CM one. Finally, by combining thermal information (Gibbs–Thomson equation), XRD data (Scherrer equation) and TEM imaging, the size of the crystalline lamellae during PLA crystallization will be sampled, also detecting the phenomenon of \"lamellar thickening\" as the crystalline content increases in both the injection and compression moulded samples.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22344 - 22362"},"PeriodicalIF":3.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811016","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
Exploring citric acid cross-linking: achieving optimal properties in cellulose–gelatin films for antimicrobial biopolymer applications 探索柠檬酸交联:在抗菌生物聚合物应用的纤维素-明胶薄膜中实现最佳性能
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-03 DOI: 10.1007/s10853-024-10481-2
Sekar Tri Wulan Amelia, Shafira Nur Adiningsih, Tantular Nurtono, Heru Setyawan, Takashi Ogi, Eka Lutfi Septiani, W. Widiyastuti
{"title":"Exploring citric acid cross-linking: achieving optimal properties in cellulose–gelatin films for antimicrobial biopolymer applications","authors":"Sekar Tri Wulan Amelia,&nbsp;Shafira Nur Adiningsih,&nbsp;Tantular Nurtono,&nbsp;Heru Setyawan,&nbsp;Takashi Ogi,&nbsp;Eka Lutfi Septiani,&nbsp;W. Widiyastuti","doi":"10.1007/s10853-024-10481-2","DOIUrl":"10.1007/s10853-024-10481-2","url":null,"abstract":"<div><p>This study investigates the cross-linking mechanism’s ability to modify and enhance material properties, particularly in biopolymer applications. Although cross-linking offers numerous advantages, precise control over the cross-linking level is essential for achieving optimal properties and reducing undesirable effects. We explored the multifunctional effects of citric acid (CA) as a cross-linking agent in cellulose–gelatin films, assessing its impact at various concentrations. Our findings reveal that excessive cross-linking does not always improve film properties. Notably, cellulose–gelatin films containing 10% (wt) CA exhibited a smooth surface and favorable characteristics, achieving a percent elongation of 77.44%, tensile strength of 0.09 MPa, and Young modulus of 1.21. The films also exhibit a high swelling ratio, indicating their excellent swelling ability in aqueous environments. Furthermore, in vitro evaluations indicated that CA significantly enhances the antibacterial activity of films against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i>. These results demonstrate the potential of CA cross-linked cellulose–gelatin films in medical and healthcare applications, particularly as wound dressings that deliver durable antimicrobial efficacy.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22327 - 22343"},"PeriodicalIF":3.5,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810948","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
Review on the application of density functional theory to predict the color, electronic, and optical properties of ceramic pigments along with experimental confirmation 综述了密度泛函理论在预测陶瓷颜料的颜色、电子和光学性质方面的应用,并进行了实验验证
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-03 DOI: 10.1007/s10853-024-10455-4
S. Y. Vaselnia, M. Khajeh Aminian
{"title":"Review on the application of density functional theory to predict the color, electronic, and optical properties of ceramic pigments along with experimental confirmation","authors":"S. Y. Vaselnia,&nbsp;M. Khajeh Aminian","doi":"10.1007/s10853-024-10455-4","DOIUrl":"10.1007/s10853-024-10455-4","url":null,"abstract":"<p>Ceramic pigments are inorganic materials that can be used in industrial applications. Here, we reviewed the works reported in the literature where first-principles calculations based on density functional theory (DFT) have been used to predict the color, electronic, and optical properties, along with experimental confirmation. Recently, theoretically predicting the color of ceramic pigments has been proposed as a new idea, and some studies have been conducted in this field. The research papers calculated the different properties of pigments using DFT and provided a solution to predict the color of ceramic pigments. Herein, it has been shown how methods such as Lanczos, Bethe-Salpeter equation (BSE), and many-body <span>(F_{xc})</span> kernel for long-range correction (LRC) model can be used to predict the absorption spectra of ceramic pigments. The absorption spectra data were imported into the Color Viewer software to calculate the color of the pigments. This review presents and discusses recent studies using DFT for ceramic pigments and explains how to complete this theory.</p>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"21987 - 22023"},"PeriodicalIF":3.5,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811008","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
Correlation between the multiferroic properties in (1-x)BaTiO3-xCoFe2O4 composites (1-x)BaTiO3-xCoFe2O4复合材料多铁性的相关性
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2024-12-03 DOI: 10.1007/s10853-024-10488-9
Layiq Zia, Ghulam Hassnain Jaffari, Jimenez Ricardo, Amorín Harvey, Ping Kwan Johnny Wong, Ismat Shah
{"title":"Correlation between the multiferroic properties in (1-x)BaTiO3-xCoFe2O4 composites","authors":"Layiq Zia,&nbsp;Ghulam Hassnain Jaffari,&nbsp;Jimenez Ricardo,&nbsp;Amorín Harvey,&nbsp;Ping Kwan Johnny Wong,&nbsp;Ismat Shah","doi":"10.1007/s10853-024-10488-9","DOIUrl":"10.1007/s10853-024-10488-9","url":null,"abstract":"<div><p>Multiferroic materials, which exhibit coupled ferroelectric and magnetic properties, hold immense promise for multifunctional device applications. Here, a multistep synthesis method, involving chemical synthesis, mechanical milling, and Spark Plasma Sintering, was utilized to fabricate (1-<i>x</i>)BaTiO<sub>3</sub>-<i>x</i>CoFe<sub>2</sub>O<sub>4</sub> (BTO-CFO) compacted ceramics composites with <i>x</i> = 0.1, 0.2, 0.3, and 0.4. Controlled high pressure and pulsed current facilitated rapid densification, yielding high-density fine microstructures. Structural analysis confirmed the coexistence of tetragonal BaTiO<sub>3</sub> (BTO) and cubic spinel CoFe<sub>2</sub>O<sub>4</sub> (CFO) phases, forming 0–3 type multiferroic composites. Microstructural analysis revealed CFO grain clustering within the BTO matrix. The temperature-dependent magnetization curve of CFO shows an increase in magnetization within the temperature range of BTO ferroelectric phase transition, suggesting a strain-mediated magnetoelectric coupling. Temperature and frequency dependence of dielectric permittivity highlighted significant CFO conductivity contribution. Ferroelectric hysteresis and magnetoelectric coupling were observed predominantly in low CFO content samples, with differences in magnetoelectric coefficient values attributed to preferential ferroelectric polarization alignment. Our findings suggest that achieving high interface coupling is very challenging due to high leakage current from the magnetic phase.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"59 48","pages":"22149 - 22165"},"PeriodicalIF":3.5,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810949","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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