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Study of ab initio calculations of structural, electronic and optical properties of ternary semiconductor $${mathbf{G}mathbf{a}}_{1-mathbf{x}}{mathbf{I}mathbf{n}}_{mathbf{x}}mathbf{S}mathbf{b}$$ alloys 三元半导体 $${{mathbf{G}mathbf{a}}_{{1-mathbf{x}}{mathbf{I}mathbf{n}}_{{mathbf{x}}mathbf{S}$ 合金的结构、电子和光学特性的 ab initio 计算研究
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-23 DOI: 10.1007/s12034-024-03177-5
Maryam Noorafshan, Sina Heydari
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引用次数: 0
Fabrication of electrochemical sensor based on molecularly imprinted polymers for monitoring chlorpyrifos in real samples 制作基于分子印迹聚合物的电化学传感器,用于监测实际样品中的毒死蜱
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-23 DOI: 10.1007/s12034-024-03142-2
Damnita Singh, Neelam Verma, Ranjeeta Bhari, Kuldeep Kumar
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引用次数: 0
Manganese supported on Sr-induced AlO4 and AlO6 catalyst for complete oxidation of propene: effect of preparation methods 锰支撑在硒诱导的 AlO4 和 AlO6 催化剂上用于丙烯的完全氧化:制备方法的影响
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-23 DOI: 10.1007/s12034-024-03172-w
J. Waikar, P. More
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引用次数: 0
Comparative study of supercapacitive behaviour of vanadium oxide nanoflakes deposited hydrothermally on stainless steel mesh 水热沉积在不锈钢网上的氧化钒纳米片的超级电容行为比较研究
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-17 DOI: 10.1007/s12034-024-03174-8
Aditi D Yadav, Rutuja B Patil, Rutuja Gurav, Sarita P Patil

Vanadium oxides are anticipated to be high-performance energy storage electrodes due to their connected double layer and pseudo-capacitive charge storage mechanism. In the current work, flexible stainless-steel mesh substrates are created using a straightforward hydrothermal approach resulting net-like linked nanoflakes and microflowers. There are more electrochemically active sites for energy storage due to its large surface area. Stainless-steel mesh substrates themselves provide porous structure for charge transfer. Morphological results of SEM show porous nanoflake-like structures grown on the substrate. Phase is confirmed using XRD studies. It shows the specific capacitance of 675.66 F g−1 and 343.33 Wh g−1 of energy density at 0.002 A g−1 current density and power density of 19,000 W g−1.

由于钒氧化物具有连接双层和伪电容电荷存储机制,因此有望成为高性能储能电极。在目前的工作中,采用直接的水热法制造出了柔性不锈钢网基底,从而产生了网状连接的纳米片和微花。由于其表面积大,因此有更多的电化学活性位点可用于储能。不锈钢网基底本身提供了电荷转移的多孔结构。扫描电子显微镜(SEM)的形态学结果显示,基底上生长着多孔纳米片状结构。相位通过 XRD 研究得到证实。在电流密度为 0.002 A g-1 和功率密度为 19,000 W g-1 时,它的比电容为 675.66 F g-1,能量密度为 343.33 Wh g-1。
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引用次数: 0
Intertwining of materials into de-arsenification of water 将各种材料交织在一起,实现水的去砷化
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-17 DOI: 10.1007/s12034-024-03178-4
Vipin C Joshi, Saroj Sharma, Amit Bhattacharya

Metalloid arsenic in its inorganic form features the most toxicity in its mobile form, water. Arsenic in water is a concern and a threat to humanity. The water containing arsenic is aptly termed as ‘devil’s water’. Significant developments have occurred in the past few decades regarding water purification. Researchers have developed various materials to remove arsenic from water. Remediation of arsenic through different technologies (viz. adsorption, precipitation and membrane) has been met. The materials used in these technologies for conducting remediation tasks are identified. The present study covers from activated carbon to polymeric membranes. Hybrid technologies are relevant in this direction. A few field deployments are also covered.

无机形式的类金属砷在其移动形式--水中--的毒性最大。水中的砷是人类关注的问题和威胁。含砷的水被恰当地称为 "魔鬼之水"。过去几十年来,水净化技术取得了重大进展。研究人员开发了各种材料来去除水中的砷。通过不同的技术(即吸附、沉淀和膜)对砷进行补救已经实现。这些技术中用于执行补救任务的材料已经确定。本研究涵盖了从活性炭到聚合物膜的各个领域。混合技术与此方向相关。研究还涉及一些实地部署。
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引用次数: 0
An analysis of iron ion occupation in barium hexaferrites prepared employing different synthesis techniques from magnetic and Mossbauer studies 从磁性和莫斯鲍尔研究分析采用不同合成技术制备的六铁钡中的铁离子占有率
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-15 DOI: 10.1007/s12034-023-03139-3
Swathi Chanda, S Bharadwaj, V R Reddy, Kirana Kommuri, Adiraj Srinivas, Y Kalyana Lakshmi

In the present investigation, the distribution of iron ions at octahedral and tetrahedral sites in BaFe12O19 prepared by employing four different synthesis techniques, namely, solid-state reaction, oxalate precursor route, sol–gel and wet chemical methods, have been examined using Mossbauer studies and compared with magnetization data. It was observed that the iron ions distribute in different preferential order at various sites for hexaferrites prepared using different synthesis methods, which is confirmed by Mossbauer spectroscopy. Prepared samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, and Field emission scanning electron microscopy. Rietveld refinement of all samples revealed an M-type hexagonal structure confirming P63/mmc space group along with a minor peak belonging to the α-Fe2O3 phase, except for the sample synthesized by sol–gel route. A uniform spherical shape with a small grain size was observed in sol–gel prepared samples and the Williamson–Hall method was adopted to estimate the average crystallite size, which varies between 72 and 129 nm. The room temperature magnetization studies reveal that the sample synthesized via sol–gel route shows high coercivity and saturation magnetization values due to their smaller grain sizes. Mossbauer spectra of all BaFe12O19 samples were fitted with five sexets assigned to the hexagonal crystal structure of 4f2, 4f1, 2a, 12k and 2b sites, where the variation in their relative areas confirms the redistribution of iron ions at these sites.

Graphical abstract

在本研究中,采用四种不同的合成技术(即固态反应、草酸盐前驱体路线、溶胶-凝胶法和湿化学法)制备的 BaFe12O19 中,利用莫斯鲍尔研究对八面体和四面体位点的铁离子分布进行了检测,并与磁化数据进行了比较。结果表明,采用不同合成方法制备的六价铁氧体中,铁离子在不同位点上以不同的优先顺序分布,莫斯鲍尔光谱法证实了这一点。制备的样品通过 X 射线衍射、傅立叶变换红外光谱和场发射扫描电子显微镜进行了表征。除采用溶胶-凝胶法合成的样品外,所有样品的里特维尔德细化结果均显示出 M 型六边形结构,证实其空间群为 P63/mmc,同时还有一个属于 α-Fe2O3 相的小峰值。溶胶-凝胶法制备的样品呈均匀的球形,晶粒尺寸较小,采用威廉森-霍尔法估算平均晶粒尺寸,晶粒尺寸在 72 纳米到 129 纳米之间。室温磁化研究表明,通过溶胶-凝胶法合成的样品由于晶粒尺寸较小,因此具有较高的矫顽力和饱和磁化值。所有 BaFe12O19 样品的莫斯鲍尔光谱都与六方晶体结构中的 4f2、4f1、2a、12k 和 2b 位点的五个性点相匹配,其相对面积的变化证实了铁离子在这些位点上的重新分布。
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引用次数: 0
Hydrostatic pressure effect on lattice thermal conductivity of wurtzite GaN semiconductor 静水压力对晶格氮化镓半导体晶格热导率的影响
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-10 DOI: 10.1007/s12034-024-03162-y
Diman M Abdullah, M S Omar

Debye–Callaway model in combination with the Murnaghan and Clapeyron equations was used to calculate the hydrostatic pressure effects on lattice thermal conductivity (LTC) of wurtzite gallium nitride. The calculations are for the longitudinal and transverse phonon modes. The results are efficiently fitted with the whole temperature (1–400) of the experimental data. The peak value of LTC declines with the applied pressure from 0 to 14 GPa. This result is due to the decreasing Debye temperature, group velocity and lattice volume. Furthermore, pressure affected the number of dislocations, sample size and Gruneisen parameter (longitudinal and transverse) modes. Consequently, the values of above parameters at zero GPa are (2.5times {10}^{13 }{{text{m}}}^{-2}, 1.8 {text{mm}}), (0.93 ,{text{and}}, 0.52), whilst the values at 14 GPa are (15times {10}^{15}{mathrm{ m}}^{-2}, 1.68 {text{mm}},) (0.818 ,{text{and}}, 0.469), respectively. The results show that hydrostatic pressure does not affect the number of impurities and electron concentrations.

使用 Debye-Callaway 模型结合 Murnaghan 和 Clapeyron 方程计算了静水压力对晶格氮化镓晶格热导率(LTC)的影响。计算针对纵向和横向声子模式。计算结果与整个温度(1-400)的实验数据进行了有效拟合。LTC 的峰值随着 0 至 14 GPa 的施加压力而下降。这一结果是由于德拜温度、群速和晶格体积的减小造成的。此外,压力还影响位错数量、样品尺寸和格鲁尼森参数(纵向和横向)模式。因此,上述参数在零 GPa 时的值(2.5 次{10}^{13 }{{text{m}}^{-2}, 1.8 {text{mm}}}, 0.93 {text{and}}, 0.52),而在 14 GPa 时的值分别是(15times {10}^{15}{mathrm{ m}}^{-2}, 1.68 {text{mm}},) (0.818 ,{text{and}},0.469)。结果表明,静水压力不会影响杂质数量和电子浓度。
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引用次数: 0
Diamond matter-enabled low-leakage conductance to achieve the balanced dielectric properties of PVDF/ZrC/diamond blend films 利用金刚石物质实现低泄漏电导,从而实现 PVDF/ZrC/ 金刚石共混薄膜的平衡介电性能
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-09 DOI: 10.1007/s12034-023-03140-w
Qihuang Deng, Wei Xiong, Tielin He, Xue Zhang, Yue Li, Jinliang Zhu, Yue Pei, Yefeng Feng

For high dielectric constant, conductive carbide ceramic fillers are scattered in polymer to fabricate composites. However, high conductivity of carbides will lead to high leakage conductance and dielectric loss. In this work, to balance dielectric properties, polymer/ZrC/diamond blends were prepared via complementation of fillers. To perform property comparison, polymer/ZrC blends were prepared. Crystal forms and micromorphology of fillers were confirmed. All blends were measured to obtain dielectric constant, dielectric loss and conductivity at various frequencies. Compared to polymer/ZrC blends, dielectric constant of ternary blends slightly decreases and dielectric loss sharply reduces. By analysing ternary blends, strong interaction at polymer/ZrC interface results in high dielectric constant and insulating diamond results in low-dielectric loss via greatly-decreased leakage conductance. Partner employment of ZrC and diamond is distinctive. Ternary blend loaded with 5 wt% ZrC and 3 wt% diamond exhibits well-balanced dielectric performances (dielectric constant ~ 35.3; dielectric loss ~ 0.48) at 100 Hz. This work will provide valid route for balancing dielectric properties of polymer/conductive carbide blends.

为了获得高介电常数,导电碳化物陶瓷填料被分散在聚合物中以制造复合材料。然而,碳化物的高导电性会导致高漏电导和介电损耗。在这项工作中,为了平衡介电性能,通过填料互补制备了聚合物/ZrC/金刚石混合物。为了进行性能比较,制备了聚合物/ZrC 混合物。对填料的晶体形态和微观形态进行了确认。对所有混合物进行了测量,以获得不同频率下的介电常数、介电损耗和电导率。与聚合物/ZrC 混合物相比,三元混合物的介电常数略有下降,介电损耗则急剧下降。通过分析三元共混物,聚合物/ZrC 界面的强相互作用导致了高介电常数,而绝缘金刚石则通过大大降低泄漏电导率来降低介电损耗。碳化锆和金刚石的搭档使用是与众不同的。含有 5 wt% ZrC 和 3 wt% 金刚石的三元共混物在 100 Hz 时表现出良好的介电性能平衡(介电常数 ~ 35.3;介电损耗 ~ 0.48)。这项工作将为平衡聚合物/导电碳化物共混物的介电性能提供有效途径。
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引用次数: 0
Synthesis and characterization of nanostructured mesoporous alumina embedded PES beads for uranium extraction from aqueous radioactive waste 纳米结构介孔氧化铝嵌入聚醚砜珠的合成与表征,用于从放射性废物水溶液中提取铀
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-09 DOI: 10.1007/s12034-024-03202-7
BHAGYASHREE K KHARWANDIKAR, KRISHAN KANT SINGH, A K TYAGI

The removal of uranium from radioactive wastewater is an important step in nuclear waste management. In this study, a solid adsorbent was developed utilizing mesoporous alumina encapsulated within polyethersulfone (PES) beads for effective uranium extraction. The encapsulation process enhances the stability and selectivity of the material, while the mesoporous structure of alumina enables controlled mass transfer and optimal uranium adsorption. These composite beads were synthesized and thoroughly characterized, and their performance was evaluated for uranium removal from simulated radioactive wastewater. The synthesized materials have been characterized by FTIR, TGA–DSC, SEM, EDX and BET surface area analysis techniques to get complete insight into morphology, functionality and topography of materials. Batch adsorption experiments revealed rapid uranium uptake, reaching equilibrium within a short time frame. The maximum adsorption capacity was found to be ~18 mg g−1. These findings establish the potential of mesoporous alumina-encapsulated PES beads as a promising candidate for uranium extraction, offering a valuable contribution to the advancement of radioactive waste treatment technologies.

从放射性废水中去除铀是核废料管理的一个重要步骤。本研究利用包裹在聚醚砜(PES)珠内的介孔氧化铝开发了一种固体吸附剂,用于有效提取铀。封装过程增强了材料的稳定性和选择性,而氧化铝的介孔结构则实现了可控的传质和最佳的铀吸附。对这些复合珠子进行了合成和全面表征,并对其从模拟放射性废水中去除铀的性能进行了评估。傅立叶变换红外光谱、TGA-DSC、扫描电镜、EDX 和 BET 表面积分析技术对合成材料进行了表征,以全面了解材料的形态、功能和形貌。批量吸附实验表明,材料能快速吸附铀,并在短时间内达到平衡。最大吸附容量约为 18 毫克 g-1。这些发现证实了介孔氧化铝包封聚醚砜珠作为铀萃取候选材料的潜力,为放射性废物处理技术的进步做出了宝贵贡献。
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引用次数: 0
EDTA and Leishman stain-doped FeZnS2 nanomaterials: fabrication, characterization and its application in dye removal EDTA 和莱什曼染色掺杂的 FeZnS2 纳米材料:制备、表征及其在染料去除中的应用
IF 1.8 4区 材料科学 Q2 Engineering Pub Date : 2024-04-08 DOI: 10.1007/s12034-023-03115-x
G D Gayathri, M Rengasamy, R Thiruneelakandan

Dyes can be determined as a substance that creates many environmental issues leading to the death of aquatic life, plants and all living organisms. Dye removal can be done by several physical, chemical and biological methods, including the photocatalytic method. Photocatalysis is a method in which light energy is used to degrade the dye. This technique is low-cost and eco-friendly, and it degrades many harmful substances from organic dyes compared to other techniques. The prime aim of the present work is to degrade the largely used organic dyes such as methylene blue, malachite green and crystal violet using EDTA-doped FeZnS2 and Leishman stain-doped FeZnS2 thin films. The doped FeZnS2 thin films were fabricated using the co-precipitation method. Thin fabricated films are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX) and UV–Visible spectroscopy (UV). These characterization studies show an active photo response indicating effective dye degradation. Based on the absorption studies of UV spectroscopy measurements after 60 min, the degradation efficiency of methylene blue, crystal violet and malachite green using EDTA-doped FeZnS2 are 76, 85 and 90, respectively. Similarly, the degradation efficiency after 60 min of methylene blue, crystal violet and malachite green using Leishman stain-doped FeZnS2 are 82, 79 and 89, respectively.

染料是一种会造成许多环境问题的物质,会导致水生生物、植物和所有生物的死亡。去除染料可以通过几种物理、化学和生物方法,包括光催化方法。光催化是一种利用光能降解染料的方法。这种技术成本低、环保,与其他技术相比,它能降解有机染料中的许多有害物质。本研究的主要目的是利用掺杂 EDTA 的 FeZnS2 薄膜和掺杂 Leishman 染色剂的 FeZnS2 薄膜降解亚甲基蓝、孔雀石绿和水晶紫等常用有机染料。掺杂的 FeZnS2 薄膜是用共沉淀法制造的。通过 X 射线衍射(XRD)、扫描电子显微镜(SEM)、能量色散 X 射线光谱(EDX)和紫外-可见光谱(UV)对制备的薄膜进行了表征。这些表征研究显示,活性光反应表明染料降解效果显著。根据 60 分钟后紫外光谱测量的吸收研究,使用 EDTA 掺杂的 FeZnS2 对亚甲基蓝、结晶紫和孔雀石绿的降解效率分别为 76、85 和 90。同样,使用掺杂利什曼染色剂的 FeZnS2 在 60 分钟后对亚甲基蓝、结晶紫和孔雀石绿的降解效率分别为 82、79 和 89。
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引用次数: 0
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Bulletin of Materials Science
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