Journal of Materials Science最新文献

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Mechanically robust and leak-resistant waterborne polyurethane/cellulose nanofibril/polyethylene glycol phase change foams for thermal energy storage 用于热能储存的机械坚固且抗渗漏的水性聚氨酯/纤维素纳米纤维/聚乙二醇相变泡沫
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-10 DOI: 10.1007/s10853-025-10693-0
Shenjie Han, Qingyun Ding, Jingpeng Li, Jian Zang, Jin Wang, Yun Lu
{"title":"Mechanically robust and leak-resistant waterborne polyurethane/cellulose nanofibril/polyethylene glycol phase change foams for thermal energy storage","authors":"Shenjie Han,&nbsp;Qingyun Ding,&nbsp;Jingpeng Li,&nbsp;Jian Zang,&nbsp;Jin Wang,&nbsp;Yun Lu","doi":"10.1007/s10853-025-10693-0","DOIUrl":"10.1007/s10853-025-10693-0","url":null,"abstract":"<div><p>Impregnating phase change materials (PCMs) into cellulose aerogels has been recognized as an effective approach to mitigating the liquid leakage issues because of the superior surface tension and capillary force. However, these phase change aerogels suffer from inadequate mechanical properties, making them susceptible to breakage and deformation under external forces. To address this challenge, this study explores the effects of varying waterborne polyurethane (WPU) concentrations on the mechanical and thermal properties of polyethylene glycol (PEG)/cellulose nanofibril (CNF)/WPU phase change foams, successfully fabricating a series of PEG/CNF/WPU phase change foams. Field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), mechanical testing, and leakage rate tests were employed to systematically evaluate the morphology, crystalline structure, chemical composition, mechanical properties, and thermal characteristics of these foams with different WPU additions. The results revealed that the PEG/CNF/WPU phase change foam containing 9 g WPU achieved a phase change enthalpy of 134.81 J·g<sup>−1</sup>, accompanied by outstanding compressive strength, compressive yield stress, and compressive modulus. Notably, the leakage rate after a 30-day leakage test was only 8.09%.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3912 - 3925"},"PeriodicalIF":3.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471871","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
Multiprobe analyses on nucleation and evolution of nanocrystallization process in a high saturation magnetization soft magnetic Fe–Si–B–P–Cu–C alloy
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-10 DOI: 10.1007/s10853-025-10696-x
Shozo Hiramoto, Satoshi Okamoto, Jun Uzuhashi, Tadakatsu Ohkubo, Akihiko Toda, Sangwook Kim, Chikako Moriyoshi, Yoshihiro Kuroiwa
{"title":"Multiprobe analyses on nucleation and evolution of nanocrystallization process in a high saturation magnetization soft magnetic Fe–Si–B–P–Cu–C alloy","authors":"Shozo Hiramoto,&nbsp;Satoshi Okamoto,&nbsp;Jun Uzuhashi,&nbsp;Tadakatsu Ohkubo,&nbsp;Akihiko Toda,&nbsp;Sangwook Kim,&nbsp;Chikako Moriyoshi,&nbsp;Yoshihiro Kuroiwa","doi":"10.1007/s10853-025-10696-x","DOIUrl":"10.1007/s10853-025-10696-x","url":null,"abstract":"<div><p>This study aimed to explore the impact of annealing temperature on the nucleation and subsequent growth of nanocrystalline α-Fe grains in a high saturation magnetization soft magnetic Fe<sub>84.8</sub>Si<sub>0.5</sub>B<sub>9.4</sub>P<sub>3.5</sub>Cu<sub>0.8</sub>C<sub>1.0</sub> alloy. Thus, we conducted multiprobe analyses of the isothermal crystallization process within 633–733 K. Transmission electron microscopy and atom probe tomography observations of the samples isothermally annealed at 733 and 633 K revealed distinct differences in their microstructures. In case of the higher isothermal temperature, larger Cu clusters were observed, whereas the α-Fe grains were finer. In contrast, in case of the lower isothermal temperature, the Cu clusters were smaller, and the α-Fe grains were coarser. Time-resolved synchrotron radiation X-ray diffraction measurements confirmed the sporadic nucleation mechanism, highlighting the significant effect of isothermal temperature on the formation of α-Fe grains. To achieve an optimal microstructure for lower coercivity, the Cu clustering and α-Fe nanocrystallization must be controlled by annealing at higher temperatures for shorter durations.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3988 - 3998"},"PeriodicalIF":3.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471913","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
Study on the mechanical properties and failure mechanism of polypropylene fiber–rubber-modified solid waste-based backfill
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-09 DOI: 10.1007/s10853-025-10624-z
Xiangdong Zhang, Ji Yang, Yucheng Bing, Hongda Ding, Chunyu Zheng, Jie Geng, Yiqing Wu, Lu Zheng, Lijuan Su
{"title":"Study on the mechanical properties and failure mechanism of polypropylene fiber–rubber-modified solid waste-based backfill","authors":"Xiangdong Zhang,&nbsp;Ji Yang,&nbsp;Yucheng Bing,&nbsp;Hongda Ding,&nbsp;Chunyu Zheng,&nbsp;Jie Geng,&nbsp;Yiqing Wu,&nbsp;Lu Zheng,&nbsp;Lijuan Su","doi":"10.1007/s10853-025-10624-z","DOIUrl":"10.1007/s10853-025-10624-z","url":null,"abstract":"<div><p>This study focuses on the resourceification of solid wastes. Using NaOH as an activator, limestone powder (LP), slag powder (SP), and fly ash (FA) in a ratio of 24%:28%:48% were combined with spontaneous combustion coal gangue (CG) as the fine aggregate, and tire rubber particles (GTR) and polypropylene fibers (PP) were co-added to prepare new backfill materials for goafs (LSFC + Gs) and (LSFCP + Gs). The mechanical properties of the backfill materials were thoroughly investigated through uniaxial compressive strength (UCS), three-point bending, and splitting tests. The energy evolution of the fillers was analyzed, and digital speckle technology was utilized to precisely assess the damage evolution and failure mechanism of the samples under load. Furthermore, combined with X-ray diffraction (XRD) and scanning electron microscopy (SEM–EDS), the strength formation mechanism was studied. The results indicate that: (1) With the increase of GTR content, the mechanical properties of the backfill materials initially increase and then decrease, with LSFC + G10 and LSFCP + G15 combinations exhibiting the best performance. (2) After the addition of GTR, the total energy and elastic strain energy accumulation of the material increase, correlating positively with UCS. (3) During the compaction and crack generation stages, the horizontal and vertical displacements of the specimen’s transition from initial uniform distribution to non-uniform and discontinuous distribution, and the shear displacement also exhibit similar characteristics. As the displacement difference increases, the specimens show significant deformation characteristics. (4) Under alkaline conditions, LP, SP, and FA produce a large amount of honeycomb-like topological network C–(A)–S–H polymer products, filling the voids within the matrix and thereby enhancing the mechanical properties of the samples. The synergistic effect of the three-dimensional network structure of PP and GTR improves the load-bearing capacity of the samples. The research provides a theoretical basis for the treatment of waste tires and the development of new backfill materials for mining areas.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"4053 - 4077"},"PeriodicalIF":3.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471897","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
Sodium-ion batteries: state-of-the-art technologies and future prospects
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-09 DOI: 10.1007/s10853-025-10671-6
Kishor Deshmukh, Kiran Varade, S. M. Rajesh, Vipin Sharma, Padmakar Kabudake, Sandip Nehe, Vikas Lokawar
{"title":"Sodium-ion batteries: state-of-the-art technologies and future prospects","authors":"Kishor Deshmukh,&nbsp;Kiran Varade,&nbsp;S. M. Rajesh,&nbsp;Vipin Sharma,&nbsp;Padmakar Kabudake,&nbsp;Sandip Nehe,&nbsp;Vikas Lokawar","doi":"10.1007/s10853-025-10671-6","DOIUrl":"10.1007/s10853-025-10671-6","url":null,"abstract":"<div><p>Sodium-ion batteries (SIBs) are a prominent alternative energy storage solution to lithium-ion batteries. Sodium resources are ample and inexpensive. This review provides a comprehensive analysis of the latest developments in SIB technology, highlighting advancements in electrode materials, electrolytes, and cell design. SIBs offer unique electrochemical properties, but they still face challenges in achieving comparable energy densities, cycle life, and commercial viability. The review delves into key innovations in anode materials, including carbonaceous and alloy-based options, and breakthroughs in cathode materials, such as layered oxides and polyanionic compounds. In addition to electrodes, electrolytes were explored with particular attention to current developments in liquid- and solid-state electrolyte technology. Biomass-derived materials garnered attention for their sustainability, cost-effectiveness, and environmental benefits in developing cathodes, anodes, and electrolytes. Furthermore, this paper explores the limitations associated with sodium’s larger ionic radius, which impacts the structural stability and kinetics of SIBs. Sodium-ion batteries are presently experiencing swift advancement, propelled by their potential to satisfy the increasing need for sustainable and economical energy storage solutions. This present study examines the present cutting-edge technology, highlighting both scientific accomplishments and persisting challenges face by SIBs. It also evaluates the future prospects of SIBs in various sectors, including grid energy storage and electric vehicles, emphasizing their potential to complement or even replace lithium-based systems. Finally, the study proposes pathways to overcome existing technological barriers and accelerate the commercialization of SIBs.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3609 - 3633"},"PeriodicalIF":3.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471973","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
Effects of deformation and annealing on microstructure and mechanical properties of CoCrFe8NiMn alloy
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-09 DOI: 10.1007/s10853-025-10701-3
Menglu Jian, Min Liu, Qiannan Hu, Fan Yang, Zhanyong Wang, Fangjie Li, Han Hu, Qin Shen
{"title":"Effects of deformation and annealing on microstructure and mechanical properties of CoCrFe8NiMn alloy","authors":"Menglu Jian,&nbsp;Min Liu,&nbsp;Qiannan Hu,&nbsp;Fan Yang,&nbsp;Zhanyong Wang,&nbsp;Fangjie Li,&nbsp;Han Hu,&nbsp;Qin Shen","doi":"10.1007/s10853-025-10701-3","DOIUrl":"10.1007/s10853-025-10701-3","url":null,"abstract":"<div><p>Effects of deformation and annealing on the microstructure and mechanical properties on the CoCrFe8NiMn (hereinafter to be referred as Fe8) medium-entropy alloy were systematically investigated. Two deformation-induced phase transformations (FCC-to-BCC and FCC-to-HCP) occur during the cold-rolling process, while the reverse phase transformations (BCC-to-FCC and HCP-to-FCC) take place undergoing the annealing treatment. A good combination of strength (995 MPa) and plasticity (28.1%) for this alloy was obtained after rolling and annealing. Microstructural analysis confirms the FCC, HCP and BCC phases in this alloy obey specific orientation relationships. Electron backscatter diffraction results reveal that two strain-induced phase transformations (FCC-to-BCC and FCC-to-HCP) occur in the annealed Fe8 alloy sample during the tensile deformation, resulting in the transformation-induced plasticity (TRIP) effect. Thereby, the annealed Fe8 alloy achieves an optimal strength-plasticity balance and becomes a potential candidate used for engineering material.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"4020 - 4034"},"PeriodicalIF":3.5,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471895","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
MOF and MOF-based membranes: promising solutions for pharmaceutical wastewater treatment
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-08 DOI: 10.1007/s10853-025-10659-2
Izaz Ul Islam, Xudong Hu, Jingyi Shang, Muhammad Ayaz Ashraf, Tariq Ali, Awais Ali Aslam, Shuang Li, Deliang Li, Muhammad Shahid Nazir, Xinhai Wang, Erdal Yabalak
{"title":"MOF and MOF-based membranes: promising solutions for pharmaceutical wastewater treatment","authors":"Izaz Ul Islam,&nbsp;Xudong Hu,&nbsp;Jingyi Shang,&nbsp;Muhammad Ayaz Ashraf,&nbsp;Tariq Ali,&nbsp;Awais Ali Aslam,&nbsp;Shuang Li,&nbsp;Deliang Li,&nbsp;Muhammad Shahid Nazir,&nbsp;Xinhai Wang,&nbsp;Erdal Yabalak","doi":"10.1007/s10853-025-10659-2","DOIUrl":"10.1007/s10853-025-10659-2","url":null,"abstract":"<div><p>Water contamination has become a significant global issue in recent decades, with pollutants, such as heavy metals, acids, organic solvents, and pharmaceutical waste contributing to environmental degradation. Various techniques are employed for treating pharmaceutical wastewater, but metal–organic frameworks (MOFs) are gaining increasing attention due to their unique properties. MOFs offer exceptional porosity, modular structures, high crystallinity, customizable chemical components, large specific surface area, simple functionalization, and numerous active sites. These coordination compounds consist of poly-nuclear metal nodes and organic linkers, forming highly porous structures. This review focuses on MOF-based membrane separation techniques, including membrane filtration (MF), nanofiltration, organic solvent nanofiltration, ultrafiltration (UF), microfiltration, forward osmosis, reverse osmosis, membrane pervaporation, and membrane distillation, along with their mechanisms for removing pharmaceutical waste. MOFs have shown great promise in enhancing membrane performance by improving adsorption capacities, increasing water flow rates, and optimizing membrane properties. Integrating MOFs with materials like graphene oxide, titania, and silica has further improved their performance. Additionally, green synthesis methods are being developed to create eco-friendly MOFs for sustainable wastewater treatment. MOFs demonstrate effective adsorption capacities for various contaminants, including antibiotics, such as tetracycline, nitroimidazole, and quinolone. Functionalizing MOFs with specific groups has been shown to further enhance their adsorption efficiency. Overall, MOFs offer significant potential for advancing pharmaceutical wastewater treatment and addressing global water contamination challenges.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3634 - 3662"},"PeriodicalIF":3.5,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10853-025-10659-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471848","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
The new PrNi6Si6 intermetallic: from crystal structure to thermal and electrical transport properties across a wide temperature range (2–900 K)
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-08 DOI: 10.1007/s10853-024-10582-y
S. Singh, A. Provino, I. Pallecchi, F. Caglieris, M. Mödlinger, P. Mele, G. Latronico, T. Takeuchi, P. Manfrinetti
{"title":"The new PrNi6Si6 intermetallic: from crystal structure to thermal and electrical transport properties across a wide temperature range (2–900 K)","authors":"S. Singh,&nbsp;A. Provino,&nbsp;I. Pallecchi,&nbsp;F. Caglieris,&nbsp;M. Mödlinger,&nbsp;P. Mele,&nbsp;G. Latronico,&nbsp;T. Takeuchi,&nbsp;P. Manfrinetti","doi":"10.1007/s10853-024-10582-y","DOIUrl":"10.1007/s10853-024-10582-y","url":null,"abstract":"<div><p>In the present study, the new ternary rare earth intermetallic compound PrNi<sub>6</sub>Si<sub>6</sub> has been investigated. This work completes the study of the RNi<sub>6</sub>Si<sub>6</sub> series (R = rare earth). While the RNi<sub>6</sub>Si<sub>6</sub> compounds for R = La and Ce adopt the CeNi<sub>6</sub>Si<sub>6</sub>-type (<i>tP</i>52, <i>P</i>4/<i>nbm</i>, No. 125), surprisingly PrNi<sub>6</sub>Si<sub>6</sub> crystallizes in the YNi<sub>6</sub>Si<sub>6</sub> prototype (<i>tP</i>52, <i>P − </i>4<i>b</i>2, No. 117) as do all the heavier lanthanides (but Lu). The YNi<sub>6</sub>Si<sub>6</sub>-type and its homolog CeNi<sub>6</sub>Si<sub>6</sub> are two tetragonal ordered derivative of the cubic NaZn<sub>13</sub>-type structure. Lattice parameters for PrNi<sub>6</sub>Si<sub>6</sub> are <i>a</i> = 7.7846(1) Å, <i>c</i> = 11.2144(1) Å, with a unit cell volume, <i>V</i><sub>obs</sub> = 679.585(5) Å<sup>3</sup>. The temperature dependence of the inverse magnetic susceptibility <i>χ</i><sup><i>−1</i></sup>(T) follows the Curie–Weiss law, with calculated values of the effective magnetic moment (<i>µ</i><sub>eff</sub>) and Weiss temperature (Θ<sub>pm</sub>) of 3.55 <i>μ</i><sub><i>B</i></sub> and − 4.5 K, respectively. While the observed <i>µ</i><sub>eff</sub> is very close to the theoretical value of 3.58 <i>µ</i><sub><i>B</i></sub> for the free Pr<sup>3+</sup> ions, a negative value of the Weiss temperature suggests antiferromagnetic interactions in PrNi<sub>6</sub>Si<sub>6</sub>. Magnetization measurements confirm that PrNi₆Si₆ orders antiferromagnetically (AFM) below a Néel temperature (<i>T</i><sub>N</sub>) of 9 K. The Ni atoms contribute negligibly to the magnetic properties of this phase. The specific heat of PrNi₆Si₆ is approximately 0.42 J K <sup> − 1</sup>  g<sup> − 1</sup>. Measurements of electric and thermal transport reveal that PrNi₆Si₆ exhibits metallic behavior across a wide temperature range of 2–900 K, accompanied by a relatively low thermal conductivity of around 6 W K<sup> − 1</sup> m<sup> − 1</sup> at room temperature. Such properties, together with its high-temperature refractory behavior, make PrNi₆Si₆ worthy of consideration in technological applications where fairly good electrical conductivity should be accompanied by a limited thermal conductivity.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3940 - 3956"},"PeriodicalIF":3.5,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471890","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
Analytical modeling of NH3 gas sensing using zigzag graphene nanoscrolls: energy band structure and electrical properties
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-07 DOI: 10.1007/s10853-025-10636-9
Ali Hosseingholipourasl
{"title":"Analytical modeling of NH3 gas sensing using zigzag graphene nanoscrolls: energy band structure and electrical properties","authors":"Ali Hosseingholipourasl","doi":"10.1007/s10853-025-10636-9","DOIUrl":"10.1007/s10853-025-10636-9","url":null,"abstract":"<div><p>Graphene nanoscrolls (GNSs), a unique nanostructure of graphene, have garnered considerable attention due to their distinctive properties such as a rolled-up papyrus-like structure, adjustable core geometry, increased inner wall area, and enhanced surface-to-volume ratio. These properties make GNS a promising candidate for various nanoelectronic applications, including gas sensing devices. Despite its potential, GNS has been relatively underexplored in the context of gas sensing applications. In this study, we present a series of analytical models to characterize the behavior of zigzag graphene nanoscrolls (ZGNS)-based gas sensors in the presence of NH<sub>3</sub> gas. The tight-binding technique, employing nearest neighbor approximation, is utilized to formulate the energy dispersion relation of GNS, incorporating the influence of gas molecule adsorption through parameters such as the hopping integral between GNS and gas and the on-site energy of adsorbed gas molecules. Furthermore, the derived energy equation is employed to establish the conductance relation and explore the impact of gas adsorption on the electrical conductance of GNS. Subsequently, the I-V characteristics of the GNS sensor are formulated, and the variations in current due to NH<sub>3</sub> gas exposure are analyzed. The gate voltage is modeled as a function of NH<sub>3</sub> concentration, and a sensing parameter is proposed based on current variations across different concentrations. Validation of the model is performed by comparing the obtained results with data extracted from previous studies. The findings demonstrate good agreement, underscoring the effectiveness of the proposed ZGNS-based sensor model for NH<sub>3</sub> detection under varying environmental conditions.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3850 - 3862"},"PeriodicalIF":3.5,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10853-025-10636-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471864","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
DFT investigation of half-metallic, thermoelectric and optical properties of MCrTaM’ (M = Fe and Ru, M’ = Al, Ga, Si and Ge) quaternary-Heusler alloys MCrTaM' (M = Fe 和 Ru,M' = Al、Ga、Si 和 Ge)四元赫斯勒合金的半金属、热电和光学特性的 DFT 研究
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-07 DOI: 10.1007/s10853-025-10678-z
Roshme Prakash, G. Kalpana
{"title":"DFT investigation of half-metallic, thermoelectric and optical properties of MCrTaM’ (M = Fe and Ru, M’ = Al, Ga, Si and Ge) quaternary-Heusler alloys","authors":"Roshme Prakash,&nbsp;G. Kalpana","doi":"10.1007/s10853-025-10678-z","DOIUrl":"10.1007/s10853-025-10678-z","url":null,"abstract":"<div><p>Researchers are interested in Heusler alloys because of their potential technical significance and multifunctional applications. In this paper, a complete theoretical analysis is performed using density functional theory to investigate the structural, mechanical, electronic, magnetic, thermoelectric and optical properties of MCrTaM’ (M = Fe and Ru, M’ = Al, Ga, Si and Ge) alloys. The structural and electronic properties of MCrTaM’ (M = Fe, M’ = Al, Ga, Si and Ge), RuCrTaAl and RuCrTaGa alloys indicate that all the alloys exhibit ferromagnetic ground state. The spin-polarized electronic band structure calculation shows that all the alloys exhibit half-metallic ferromagnetism (HMF) at their equilibrium lattice constant, which is also confirmed by the integer total magnetic moment of 2.00 μ<sub>B</sub> and 1.00 μ<sub>B</sub> for MCrTaM’ (M = Fe, Ru, M’ = Al and Ga) and FeCrTaM’ (M’ = Si and Ge) alloys respectively. The FeCrTaAl alloy is suitable for low-temperature thermoelectric applications with a ZT of 0.88 at 300 K, while the FeCrTaSi and RuCrTaAl alloys are more appropriate for high-temperature thermoelectric applications with ZT values of 0.69 and 0.62 at 900 K respectively. Optical spectra show that absorption is in the IR to near-UV wavelength range. According to the findings, these alloys could be useful in spintronics, thermoelectric, and optoelectronics applications.</p></div>","PeriodicalId":645,"journal":{"name":"Journal of Materials Science","volume":"60 8","pages":"3830 - 3849"},"PeriodicalIF":3.5,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471863","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
Substrate-heated electrospraying for simultaneously improving superhydrophobicity and durability of coatings
IF 3.5 3区 材料科学
Journal of Materials Science Pub Date : 2025-02-07 DOI: 10.1007/s10853-025-10685-0
Meilin Liu, Shuangmin Li, Tingping Lei, Wentao Lin, Yanfei Fang, Xiaomei Cai
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