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Microstructural, Optical, and Antimicrobial Activity of ZnO-CuO NCP Prepared Using Co-precipitation Technique 利用共沉淀技术制备的 ZnO-CuO NCP 的微观结构、光学特性和抗菌活性
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-18 DOI: 10.1007/s10948-024-06760-3
Wedad A. Alwesabi, Prajakta D. Dange, Anil V. Raut, Gulab M. Puri, Rahul M. Khobragade, Pravina P. Pawar, S. V. N. Pammi, Challa Kiran Kumar, Pratap Kollu

ZnO-CuO nanocomposite particles (NCPs) were synthesized at different molar ratios (4:1, 3:2, and 1:4) through the use of the co-precipitation technique, which produced interesting modifications in the particle’s physical characteristics. XRD showed that average crystallite size (Davg) decreased noticeably from about 22.07 to 15.98 nm as the concentration of CuO increased within the ZnO matrix. This pattern points to a major impact of CuO content on the composite’s structural properties. Fourier-transform infrared spectroscopy (FTIR), two distinct functional groups were identified: v1 and v2, which were detected at approximately 524 cm−1 and 427 cm−1, respectively, and were linked to intrinsic and extrinsic vibrations. These spectral characteristics highlight the complex interaction between ZnO and CuO and offer important insights into the chemical bonding and molecular interactions within the composite system. The ZnO-CuO nanocomposite was subjected to field emission scanning electron microscopy and energy-dispersive X-ray analysis (SEM-EDX) which showed spherical shapes with increments in agglomeration. UV-Vis absorption spectra revealed a blue shift with increasing absorption in the UV region. The energy band gap of ZnO in its pristine state was found to be 3.31 eV, but in the ZnO4-CuO1 composition, it increased to 5.48 eV, suggesting that the addition of CuO caused a significant change in the electronic structure. Significantly, ZnO-CuO NCP antimicrobial evaluation demonstrated exceptional antibacterial efficacy against bacterial strains that were both Gram positive and Gram negative, in addition to fungal pathogens. This strong antimicrobial activity highlights the synthetic nanocomposite’s potential use in fighting a range of microbial infections and highlights their bright future in the environmental and biomedical fields.

通过使用共沉淀技术,以不同的摩尔比(4:1、3:2 和 1:4)合成了氧化锌-氧化铜纳米复合粒子(NCPs),这使粒子的物理特性发生了有趣的变化。XRD 显示,随着氧化锌基体中 CuO 浓度的增加,平均晶粒尺寸(Davg)从约 22.07 纳米明显降低到 15.98 纳米。这种模式表明,氧化铜含量对复合材料的结构特性有重大影响。傅立叶变换红外光谱(FTIR)发现了两个不同的官能团:v1 和 v2,它们分别在约 524 cm-1 和 427 cm-1 处被检测到,并与内在和外在振动相关联。这些光谱特征凸显了氧化锌和氧化铜之间复杂的相互作用,并为深入了解复合体系内的化学键和分子相互作用提供了重要依据。对 ZnO-CuO 纳米复合材料进行了场发射扫描电子显微镜和能量色散 X 射线分析(SEM-EDX),结果显示其形状为球形,且团聚程度不断增加。紫外-可见吸收光谱显示,随着紫外区吸收量的增加,出现了蓝移现象。原始状态下 ZnO 的能带隙为 3.31 eV,但在 ZnO4-CuO1 成分中,能带隙增加到 5.48 eV,这表明 CuO 的加入导致电子结构发生了显著变化。值得注意的是,ZnO-CuO NCP 的抗菌评估表明,它对革兰氏阳性和革兰氏阴性细菌菌株以及真菌病原体都具有卓越的抗菌功效。这种强大的抗菌活性凸显了合成纳米复合材料在抗击一系列微生物感染方面的潜在用途,并彰显了其在环境和生物医学领域的广阔前景。
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引用次数: 0
A Phenomenological Approach for Predicting Magnetic and Magnetocaloric Properties in the (La2MnNiO6)x / (La2MnCoO6)1−x Composite 预测 (La2MnNiO6)x / (La2MnCoO6)1-x 复合材料磁性和磁致性的现象学方法
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-18 DOI: 10.1007/s10948-024-06777-8
Abderrazak Boubekri, Zakaria Elmaddahi, Younes Jarmoumi, Karima Gueddouch, Abdeslam Farchakh, Mohamed EL Hafidi

In this paper, we have investigated the magnetic and magnetocaloric characteristics of a La2MnNiO6 composite, in conjunction with La2MnCoO6. This composite consists of two phases of double perovskite materials. Employing the mean-field approximation, we successfully modeled how magnetization and the change in magnetic entropy vary with temperature under different magnetic fields in our samples. This phenomenological model helped us also plot the maximum magnetic entropy change (-ΔSM)max, full width at half-maximum δTFWHM, and relative cooling power (RCP). Our analysis has revealed an optimal plateau-type magnetocaloric effect near room temperature, corresponding to a specific composition x between 0.2 and 0.5. Ultimately, this theoretical model lets us predict the magnetic and magnetocaloric behavior of composite materials, providing a foundation for future studies.

本文研究了 La2MnNiO6 与 La2MnCoO6 复合材料的磁性和磁致性。这种复合材料由两相双包晶材料组成。利用平均场近似,我们成功地模拟了样品在不同磁场下磁化和磁熵变化随温度变化的情况。这一现象学模型还帮助我们绘制了最大磁熵变化 (-ΔSM)max、半最大全宽 δTFWHM 和相对冷却功率 (RCP)。我们的分析揭示了室温附近的最佳高原型磁致效应,对应于 0.2 和 0.5 之间的特定成分 x。最终,这个理论模型让我们能够预测复合材料的磁性和磁致行为,为今后的研究奠定了基础。
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引用次数: 0
Synthesis, Characterization, Magnetic, Elastic, and Electronic Properties of La2ZnMnO6 Double Perovskite La2ZnMnO6 双包晶的合成、表征、磁性、弹性和电子特性
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-18 DOI: 10.1007/s10948-024-06776-9
H. Ouachtouk, A. Harbi, S. Azerblou, A. Azouaoui, M. Moutaabbid, El. Tace

The perovskite La2ZnMnO6 was successfully synthesised using the conventional solid-state reaction. X-ray diffraction shows that the perovskite La2ZnMnO6 crystallizes in a monoclinic structure P21/n space group, where Zn and Mn atoms are regularly distributed. The Raman spectrum result reveals three peaks at 696 cm−1, 655 cm−1 and 505 cm−1, corresponding to the Ag stretching mode, Bg anti-stretching, and bending vibrations modes of Ni/Co-O and Mn-O bonds in the structure. The experimental value of the band gap energy was calculated using Tauc’s formula and the result reveals a semiconducting behaviour. We investigated the structural, elastic, magnetic, and electronic properties using the spin-polarized density functional theory. The partial density of state indicates that the material exhibits a antiferromagnetic semiconducting behaviour. The antiferromagnetic ordering is explained by the super-exchange interaction between empty eg orbitals of Mn4+( ({t}_{2 g}^{3})({e}_{g}^{0})). The obtained Neel temperature is TN ∼ 28 K which is comparable with the experiment results. Elastic constants and their derivative parameters show a high mechanical stability of this material with a ductile nature. The investigation of the transport properties encompassed an analysis of the electrical conductivity, the figure of merit, the Seebeck coefficient, and thermal conductivity. The results show that electronic and thermal conductivities increase linearly with temperature. The computed values of the figure of merit are close to unity, suggesting that this material is a promising candidate for thermoelectric application.

利用常规固态反应成功合成了透辉石 La2ZnMnO6。X 射线衍射显示,包晶体 La2ZnMnO6 结晶为 P21/n 空间群单斜结构,其中 Zn 和 Mn 原子呈规则分布。拉曼光谱结果显示,在 696 cm-1、655 cm-1 和 505 cm-1 处有三个峰,分别对应于结构中的 Ag 拉伸模式、Bg 反拉伸模式以及 Ni/Co-O 和 Mn-O 键的弯曲振动模式。利用陶氏公式计算了带隙能的实验值,结果显示该化合物具有半导体特性。我们使用自旋极化密度泛函理论研究了结构、弹性、磁性和电子特性。部分状态密度表明,该材料具有反铁磁半导体特性。Mn4+ 的空 eg 轨道(({t}_{2 g}^{3})({e}_{g}^{0}))之间的超交换相互作用解释了反铁磁有序性。得到的尼尔温度为 TN ∼ 28 K,与实验结果相当。弹性常数及其导数参数表明这种材料具有很高的机械稳定性和延展性。对传输特性的研究包括对电导率、优点系数、塞贝克系数和热导率的分析。结果表明,电导率和热导率随温度呈线性增长。优点系数的计算值接近于一,这表明这种材料是热电应用的理想候选材料。
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引用次数: 0
Physical Nature of the Pseudogap Phase and Anomalous Transfer of Spectral Weight in Underdoped Cuprates 掺杂不足的铜氧化物中伪隙相的物理本质和光谱权重的反常转移
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-17 DOI: 10.1007/s10948-024-06782-x
Kirill Mitsen, Olga Ivanenko

It is shown that many anomalies observed in underdoped cuprates, including anomalous spectral weight transfer and a large pseudogap, appear to have a common nature due to both the cluster structure of the underdoped phase and the specific mechanism of superconducting pairing. The combined action of these factors leads to the fact that at a temperature T lying in a certain temperature range Tc < T < T*, the crystal contains small isolated clusters that can exist both in superconducting and normal states, randomly switching between them. In this case, below Tc with a very high probability, the cluster is in a superconducting state, and above T*, it is in a normal state, and the interval Tc < T < T* is the region of existence of the so-called pseudogap phase. The temperatures Tc and T* for YBa2Cu3O6+δ were calculated depending on the doping level δ. The calculation results are in good agreement with the experiment without the use of fitting parameters. At a given T in the same temperature range, the time sequence of randomly arising superfluid density pulses from each cluster can be represented as a random process. The effective width Δωeff of the spectrum of such a random process will be determined by a correlation time, i.e., the characteristic time between successive on/off superconductivity in two different clusters. This time, according to the estimate, is ~ 10−15 s, which corresponds to Δωeff ~ 1 eV and explains the effect of spectral weight transfer to the high-frequency region. This approach also makes it possible to explain other anomalies observed in the vicinity of Tc: the reversibility of magnetization curves in a certain temperature range below Tc, the anomalous Nernst effect, and anomalous diamagnetism above Tc.

研究表明,在掺杂不足的铜氧化物中观察到的许多反常现象,包括反常的光谱重量转移和较大的伪间隙,似乎具有共同的性质,这是由于掺杂不足相的团簇结构和超导配对的特殊机制造成的。在这些因素的共同作用下,当温度 T 位于一定的温度范围 Tc < T < T* 时,晶体中含有孤立的小晶簇,这些晶簇既可以存在于超导态,也可以存在于正常态,并在两者之间随机切换。在这种情况下,低于 Tc 时,晶体簇极有可能处于超导状态,而高于 T* 时,晶体簇则处于正常状态,区间 Tc < T < T* 就是所谓的伪间隙相的存在区域。计算得出的 YBa2Cu3O6+δ 的温度 Tc 和 T* 取决于掺杂水平 δ。在同一温度范围内的给定 T 下,每个簇随机产生的超流体密度脉冲的时间序列可以表示为一个随机过程。这种随机过程频谱的有效宽度Δωeff将由相关时间决定,即两个不同簇的连续超导开/关之间的特征时间。根据估算,这个时间约为 10-15 秒,相当于 Δωeff ~ 1 eV,这也解释了光谱权重转移到高频区域的影响。这种方法还可以解释在 Tc 附近观察到的其他反常现象:Tc 以下一定温度范围内磁化曲线的可逆性、反常的奈恩斯特效应以及 Tc 以上的反常二磁性。
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引用次数: 0
Adsorption Characteristics of the Anticancer Drug Hydroxyurea with Armchair BN Graphene Nanoribbons Containing and Lacking Vacancy Defects: Insight via DFT Calculations 抗癌药物羟基脲与含有和缺乏空位缺陷的 Armchair BN 石墨烯纳米带的吸附特性:通过 DFT 计算获得的启示
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-14 DOI: 10.1007/s10948-024-06779-6
Alaa M. Khudhair, A. Ben Ahmed
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引用次数: 0
Effect of Low-level Doping With Strontium On Structure, Magnetism, and Electron States in SmMnO3 Manganite 低浓度掺杂锶对 SmMnO3 锰矿结构、磁性和电子状态的影响
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-14 DOI: 10.1007/s10948-024-06768-9
Larisa Vedmid, Olga Fedorova, Andrey Fetisov, S. Uporov
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引用次数: 0
Verification of the Phenomenological Model’s Validity for the Conventional and Inverse Magnetocaloric Effects in Ni50Mn34In16 验证 Ni50Mn34In16 中常规和反磁焦效应现象模型的有效性
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-12 DOI: 10.1007/s10948-024-06773-y
Hatem R. Alamri, M. A. Hamad
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引用次数: 0
Prediction of Hard Magnetic Properties for Melt-Spun Nd2Fe14B and Nd2Fe14B/Fe3B Based on Machine Learning 基于机器学习的熔融纺丝 Nd2Fe14B 和 Nd2Fe14B/Fe3B 硬磁特性预测
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-12 DOI: 10.1007/s10948-024-06775-w
J. T. Wen, H. G. Hu, J. S. An, T. Han, J. F. Hu
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引用次数: 0
The Effect of Boron on Equilibrium of Superconducting Phases in Bi-Pb-Sr-Ca-Cu-O System 硼对 Bi-Pb-Sr-Ca-Cu-O 体系中超导相平衡的影响
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-06 DOI: 10.1007/s10948-024-06767-w
S. M. Starrynets
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引用次数: 0
Enhancing the Magnetic Core Properties of Ultra-Thin Flaky FeSiAl Alloy Powders Through High-Temperature Reduction Treatment 通过高温还原处理增强超薄片状铁硅铝合金粉末的磁芯特性
IF 1.8 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2024-06-04 DOI: 10.1007/s10948-024-06772-z
Lunjia Du, Jianwen Chen, Qingqing Zhang, Zhimei Long, Chaoqun Li, Jiaqi Lai, Lan Liu, Te Hu, Yilong Ma, Bin Shao

The surface properties of ultra-thin flaky FeSiAl alloy powders with a thickness of 0.65 μm were modified through a high-temperature reduction process. The original FeSiAl alloy powders exhibited an inherent outer layer primarily composed of FeOx, SiAlxOy, and Al2O3. The reduction process involved the reduction of Fe3+ to metallic Fe through the use of H2. During the pressing process of the magnetic core, the flaky FeSiAl alloy powders naturally formed a stack structure with the (100) orientation. Following the reduction treatment, the FeSiAl magnetic core demonstrated an effective permeability as high as 624 at 100 kHz, with a total loss of 108.8 mW/cm3 under maximal applied fields of 50 mT at 100 kHz. These results reveal that high-temperature reduction treatment and reduction in the thickness of flaky FeSiAl alloy powders play the significant role in further enhancing their magnetic core properties.

通过高温还原工艺改变了厚度为 0.65 μm 的超薄片状 FeSiAl 合金粉末的表面特性。原始的 FeSiAl 合金粉末具有一个主要由 FeOx、SiAlxOy 和 Al2O3 组成的固有外层。还原过程包括使用 H2 将 Fe3+ 还原成金属 Fe。在磁芯的压制过程中,片状的 FeSiAl 合金粉末自然形成了 (100) 取向的堆叠结构。经过还原处理后,FeSiAl 磁芯在 100 kHz 频率下的有效磁导率高达 624,在 100 kHz 频率下的最大外加磁场为 50 mT 时,总损耗为 108.8 mW/cm3。这些结果表明,高温还原处理和减少片状 FeSiAl 合金粉末的厚度对进一步提高其磁芯性能具有重要作用。
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引用次数: 0
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Journal of Superconductivity and Novel Magnetism
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