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Sol-Gel technique, characterization and photocatalytic degradation activity of Manganese doped ZnO nanoparticles 掺锰氧化锌纳米粒子的溶胶-凝胶技术、表征和光催化降解活性
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-11-16 DOI: 10.3233/mgc-230067
A. Kistan, S. Mohan, S. Mahalakshmi, A. Jayanthi, A. J. Ramya, P. S. Karthik
Photocatalysis using semiconductor metal oxide stands out as a highly effective and efficient method for eliminating organic pollutants from wastewater. This study aims to assess the photocatalytic capabilities of Mn doped ZnO nanocomposites in degrading methylene blue (MB) dye under ultra-violet light exposure. This study details the synthesis of ZnO photocatalysts through a straightforward one-step sol-gel method, incorporating varying levels of Mn-doping (0%, 2% & 4%). The structural and optical attributes were examined using techniques such as powder X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and UV-Vis diffuse reflectance spectra. X-ray diffraction analyses verified the presence of a hexagonal wurtzite crystal structure in all synthesized samples, exhibiting a high degree of crystallinity. In addition, an investigation into the impact of Mn impurities on the photocatalytic performance of ZnO catalysts was conducted in the context of methylene blue (MB) degradation. The experimental findings revealed that the Mn doped ZnO nanoparticles produced exhibited significantly superior photocatalytic performance compared to pure ZnO when used in breaking down methylene blue under UV-light exposure. This study proposes that these Mn doped ZnO could serve as a highly effective photocatalyst for treating water contaminated with certain chemically persistent synthetic organic dyes. The improved photocatalytic capabilities of ZnO nanostructures doped with Mn were ascribed to the synergistic impact of increased surface area in ZnO nanosphere and enhanced efficiency in charge separation resulting from optimized Mn doping. A potential explanation for the heightened photocatalytic performance of Mn-doped ZnO nanostructures is proposed tentatively.
利用半导体金属氧化物进行光催化是消除废水中有机污染物的一种高效方法。本研究旨在评估掺杂锰的氧化锌纳米复合材料在紫外线照射下降解亚甲基蓝(MB)染料的光催化能力。本研究详细介绍了通过简单的一步溶胶-凝胶法合成氧化锌光催化剂的过程,其中掺入了不同程度的锰(0%、2% 和 4%)。利用粉末 X 射线衍射 (XRD)、场发射扫描电子显微镜 (FESEM)、透射电子显微镜 (TEM)、能量色散光谱 (EDS) 和紫外可见漫反射光谱等技术对其结构和光学属性进行了检测。X 射线衍射分析证实,所有合成样品都具有六方菱形晶体结构,结晶度很高。此外,还以亚甲基蓝(MB)降解为背景,研究了锰杂质对氧化锌催化剂光催化性能的影响。实验结果表明,与纯氧化锌相比,掺杂锰的氧化锌纳米粒子在紫外线照射下用于分解亚甲基蓝时,表现出明显优于纯氧化锌的光催化性能。本研究认为,这些掺杂锰的氧化锌可作为一种高效的光催化剂,用于处理被某些化学持久性合成有机染料污染的水。掺杂锰的氧化锌纳米结构的光催化能力之所以得到提高,是因为氧化锌纳米圈的表面积增大和优化掺杂锰后电荷分离效率的提高产生了协同效应。初步提出了掺锰氧化锌纳米结构光催化性能提高的潜在原因。
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引用次数: 0
Unveiling the power of g-C3N4@CR composite photocatalyst in simulated solar light-assisted degradation of fast green dye and nitrophenol 揭示g-C3N4@CR复合光催化剂在模拟太阳光辅助降解快速绿色染料和硝基苯酚中的作用
4区 化学 Q4 Materials Science Pub Date : 2023-10-09 DOI: 10.3233/mgc-230070
Arun K. Dubey, Rajesh K. Yadav, Vittal L. Gole, Satyam Singh, Rajat Singhal, Satyendra K. Pandey, Atul P. Singh
A novel and efficient method has been developed for synthesizing the g-C3N4@CR composite using a simple mingling and heating technique. This method involves the decoration of one-dimensional carmine (CR) onto graphitic carbon nitride (g-C3N4). The light-harvesting composites produced through this process underwent characterization using various spectroscopic techniques, including UV, XRD, FT-IR, Raman, and XPS spectroscopy. To assess the photocatalytic activity of the g-C3N4@CR Composite, its degradation efficiency was investigated by examining its performance in degrading fast green and nitrophenol dyes under outdoor solar light irradiation. The mechanism of degradation for these dyes by the newly designed g-C3N4@CR composite was elucidated through degradation kinetics analysis, involving the determination of parameters such as half-life time, rate constant, and degradation efficiency.
利用简单的混合和加热技术,开发了一种新的高效合成g-C3N4@CR复合材料的方法。该方法将一维胭脂红(CR)修饰在石墨化氮化碳(g-C3N4)上。通过该工艺生产的光捕获复合材料使用各种光谱技术进行了表征,包括UV, XRD, FT-IR,拉曼和XPS光谱。为了评价g-C3N4@CR复合材料的光催化活性,通过考察其在室外太阳光照射下对快速绿色和硝基酚染料的降解性能,考察其降解效率。通过半衰期、速率常数、降解效率等参数的测定,阐明了g-C3N4@CR复合材料对这些染料的降解机理。
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引用次数: 0
Computational investigation of isotopic effect in H2@X12N12 and H2O@X12N12 (X = B and Al) molecules H2@X12N12和H2O@X12N12 (X = B和Al)分子中同位素效应的计算研究
4区 化学 Q4 Materials Science Pub Date : 2023-10-06 DOI: 10.3233/mgc-230074
Reza Ghiasi, Alireza Valizadeh, Hoda Pasdar
In this work, we reported isotopic effect in H2@X12N12 and H2O@X12N12 (X = B and Al) molecules at LC-ωPBE/6-311 G(d,p) level of theory. Zero-point energies values (ZPEs) of H2, H2O, H2@X12N12 and H2O@X12N12 molecules were calculated. Isotopes influenced the excess energies attained by molecules due to compression. The changes in ZPE of H2@X12N12 and H2O@X12N12 and those isotopic molecules intensely surpass those of the H2 and H2O molecules, subsequent in the great deuterium and tritium isotope effects. The excess of compression energy (Δ ɛ) obtained by the molecule under compression was sensibly, about 5.00–2.60 (X = B) and 1.48–2.63 (X = Al) kcal/mol. Larger kH/kD and kH/kT values were found in the presence of X = B than X = Al. These outcomes were recommended as a probe for analysis molecular compression of enzymatic positions; they may be significant for exploring extremely great experimental isotope effects in various enzymatic reactions, where they were ascribed to the tunneling.
本文报道了LC-ωPBE/6-311 G(d,p)水平下H2@X12N12和H2O@X12N12 (X = B和Al)分子的同位素效应。计算了H2、H2O、H2@X12N12和H2O@X12N12分子的零点能值(ZPEs)。同位素影响了分子由于压缩而获得的多余能量。H2@X12N12和H2O@X12N12及其同位素分子的ZPE变化强烈超过H2和H2O分子,随后出现了较大的氘和氚同位素效应。受压分子获得的多余压缩能(Δ /)较为明显,分别为5.00-2.60 kcal/mol (X = B)和1.48-2.63 kcal/mol (X = Al)。X = B存在时kH/kD和kH/kT值大于X = Al存在时kH/kD和kH/kT值。这些结果被推荐作为分析酶位置分子压缩的探针;它们可能对探索各种酶促反应中极其巨大的实验同位素效应具有重要意义,在这些反应中,它们被归因于隧道效应。
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引用次数: 0
Impact of organic peroxide on a moderate molecular weight homo-polypropylene vis breaking, and mechanism of interaction 有机过氧化物对中等分子量均相聚丙烯断裂的影响及作用机理
4区 化学 Q4 Materials Science Pub Date : 2023-09-26 DOI: 10.3233/mgc-230024
M. Abd El-Wahab, M.G. El-Desouky
In this study, we show that organic peroxide is a useful tool for breaking the viscosity or chain of polypropylene during melt processing to provide a regulated rheology product. Reactive extrusion is used to crosslink peroxide and combine it with polypropylene (PP). To achieve end-use applications with performance targets, stabilizers are required to preserve the polymer’s initial strength, flexibility, and toughness properties. Other additives are added to PP in addition to stabilization in order to enhance or change certain of its properties. With the addition of varying levels of organic peroxide [2,5-Dimethyl-2,5-di (tert-butyl peroxy) hexane]. The use of peroxide in the manufacturing process of polypropylene is a method of breaking in the polymer chains, which can affect its properties, including its MFI. It is possible that increasing the amount of peroxide used leads to a higher degree of branching or cross-linking, which in turn leads to a higher MFI value. However, it is important to note that the relationship between the amount of peroxide used and the resulting MFI values may not be linear and may depend on other factors as well. In addition to the MFI, other properties of the polypropylene were also measured, including shear and melt flow index, melting and crystallization temperatures, flexural and tensile moduli, and yield stress. These properties are important for understanding the mechanical and thermal behavior of the polymer and can be used to optimize its performance for specific applications.
在这项研究中,我们表明有机过氧化物是一种有用的工具,可以在熔体加工过程中打破聚丙烯的粘度或链,以提供一种调节的流变产品。反应挤出是将过氧化物交联并与聚丙烯(PP)结合的一种方法。为了实现性能目标的最终应用,需要稳定剂来保持聚合物的初始强度、柔韧性和韧性。除稳定剂外,还向PP中添加其他添加剂,以增强或改变其某些性能。加入不同水平的有机过氧化物[2,5-二甲基-2,5-二(叔丁基过氧)己烷]。在聚丙烯的制造过程中使用过氧化物是一种破坏聚合物链的方法,这会影响其性能,包括其MFI。增加过氧化物的用量可能会导致更高程度的分支或交联,从而导致更高的MFI值。然而,重要的是要注意,过氧化氢用量与所得MFI值之间的关系可能不是线性的,也可能取决于其他因素。除MFI外,还测量了聚丙烯的其他性能,包括剪切和熔体流动指数、熔融和结晶温度、弯曲和拉伸模量以及屈服应力。这些性质对于了解聚合物的机械和热行为非常重要,并可用于优化其特定应用的性能。
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引用次数: 0
Theoretical investigation of the adsorption behavior of dibenzothiophene molecule on the surface of the pristine boron nitride nanosheet 二苯并噻吩分子在原始氮化硼纳米片表面吸附行为的理论研究
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-08-29 DOI: 10.3233/mgc-230002
M. Sheikhi, M. Khaleghian, S. Shahab, H. Yahyaei, M. Ahmadianarog
The adsorption of the dibenzothiophene (DBT) molecule upon the boron nitride nanosheet (BNNS) was discussed using the DFT method by M062X/6-311 + G* level of theory in the water solvent. The results of thermochemical parameters display the interaction of the DBT with BNNS is a spontaneous and exothermic process. The UV/Vis absorption analysis was carried out to predict the changes that occurred during the adsorption of the DBT upon the BNNS. Based on the FMO analysis, the value of the energy gap (Eg) of the BNNS reduced after the interaction of the DBT with the BNNS. The negative value of ΔN (-0.0048) of the DBT@BNNS complex confirms the charge transfer from DBT to the BNNS which is inconsistent with the results of the NBO analysis. QTAIM analysis displays an electrostatic interaction between BNNS and DBT. According to the results of NICS calculations, after the interaction of DBT with BNNS, all three rings A, B, and C of DBT have become more aromatic and stable in the presence of the nanosheet magnetic field. We hope that our findings can be used for modeling and designing a suitable adsorbed for the adsorptive desulfurization process.
采用M062X/6-311 + G*理论水平的DFT方法,讨论了二苯并噻吩(DBT)分子在氮化硼纳米片(BNNS)上的吸附。热化学参数结果表明,DBT与BNNS的相互作用是一个自发的放热过程。紫外/可见吸收分析预测了DBT在BNNS上吸附过程中发生的变化。基于FMO分析,DBT与BNNS相互作用后,BNNS的能隙(Eg)值减小。DBT@BNNS配合物的负值ΔN(-0.0048)证实了DBT向BNNS的电荷转移,这与NBO分析的结果不一致。QTAIM分析显示BNNS与DBT之间存在静电相互作用。根据NICS计算结果,DBT与BNNS相互作用后,DBT的A、B、C三个环在纳米片磁场存在下都变得更加芳香和稳定。我们希望我们的发现可以用于建模和设计合适的吸附脱硫工艺。
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引用次数: 0
Comparison of Electro-Fenton and Photoelectro-Fenton for removal of Acrylonitrile Butadiene Styrene (ABS) from petrochemical wastewater 电fenton与光电fenton对石化废水中丙烯腈-丁二烯-苯乙烯(ABS)的去除效果比较
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-08-25 DOI: 10.3233/mgc-230063
Mohamad Shobeirinia, R. J. Yengejeh, E. Derikvand, Maryam Mohammadi Rouzbehani
The purpose of this study was the evaluation the Electro-Fenton (EF) and Photo Elecro-Fennton (PEF) efficiencies to remove of some pollution indicators from effluents of Acrylonitrile Butadiene Styrene (ABS) petrochemical industries affected by the operational parameters such as operation time, pH, current density, and concentration of H2O2. The EF and PEF reactors were made and a batch study was performed to optimize the operational parameters. The optimum operating conditions were determined as pH 5, reaction time 60 min, H2O2 concentration 50 mmol/lit and current density 20 mA/cm2 for EF process and pH 5, operation time 30 min, H2O2 concentration 25 mmol/lit, current density of 20 mA/cm2 for PEF process. The highest removal efficiencies of COD (chemical oxygen demand), turbidity, total kejaldahl nitrogen (TKN) and total suspended solids (TSS) by EF and PEF processes under optimal conditions were obtained 86.7, 88.1, 67.9 and 64.1% for EF and 92.4, 93.7, 70.5 and 67.2% for PEF process, respectively. The PEF process resulted in higher removal efficiencies than that of the EF process to remove COD and TKN especially. Also, the amount of energy consumption for EF and PEF were obtained 10.1 and 9.3 kW h/m3, respectively. The PEF process was more capable to remove the pollutants from wastewater, than the EF process in a shorter time and with a lower H2O2 concentration due to the presence of UV radiation, which causes the photocatalytic decomposition of organic pollutants.
本研究的目的是评价电fenton (EF)和光电fenton (PEF)去除丙烯腈-丁二烯-苯乙烯(ABS)工业废水中一些污染指标的效率,这些指标受操作时间、pH、电流密度和H2O2浓度等操作参数的影响。制作了EF和PEF反应器,并对其运行参数进行了批量优化研究。确定最佳操作条件为:EF工艺pH 5,反应时间60 min, H2O2浓度50 mmol/lit,电流密度20 mA/cm2, pH 5,操作时间30 min, H2O2浓度25 mmol/lit, PEF工艺电流密度20 mA/cm2。在最佳条件下,EF法和PEF法对COD、浊度、总凯氏氮(TKN)和总悬浮物(TSS)的去除率分别为86.7、88.1、67.9和64.1%,PEF法为92.4、93.7、70.5和67.2%。PEF工艺对COD和TKN的去除效果优于EF工艺。此外,EF和PEF的能耗分别为10.1和9.3 kW h/m3。PEF工艺比EF工艺在更短的时间内去除废水中的污染物,并且由于存在紫外线辐射,H2O2浓度较低,导致有机污染物的光催化分解。
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引用次数: 0
Solvothermal synthesis of Bi12TiO20/Bi4Ti3O12 heterostructure with highly efficient photodegradation of MO under UV irradiation 紫外辐射下高效光降解MO的Bi12TiO20/Bi4Ti3O12异质结构溶剂热合成
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-08-18 DOI: 10.3233/mgc-230060
Saad Aarich, M. Saidi, N. Chouaibi, K. Ziat
The sillenite-structured bismuth titanate (Bi12TiO20) is thought to be a viable photocatalyst for environmental remediation. However, the performance of Bi12TiO20 as a photocatalyst is severely constrained by its limited range of light sensitivity and the rapid photoinduced electron-hole pair recombination. A practical and effective way to overcome these limitations is to combine Bi12TiO20 with adequate photocatalysts to create heterojunctions. Here, a one-step solvothermal technique is used to synthesize Bi12TiO20/Bi4Ti3O12 heterojunction (BTO). The electric field that exists between B12TiO20, Bi4Ti3O12 and the closed interfacial contacts had a synergistic effect on the constructed composites, which resulted in high charge transfer abilities. Therefore, the BTO heterojunction demonstrated increased photocatalytic efficacy in the presence of ultraviolet irradiation. The MO removal efficiency of optimal BTO was 97.15%, significantly higher than that of pure Bi2O3 (46.9%). Furthermore, the cycling experiment demonstrated that the BTO heterojunction is stable and reusable. The probable mechanism of photocatalytic MO oxidation over BTO heterojunction was studied by various scavengers. The •OH radicals and holes played essential roles in BTO system of photocatalytic oxidation process.
硅沸石结构的钛酸铋(Bi12TiO20)被认为是一种可行的环境修复光催化剂。然而,Bi12TiO20作为光催化剂的性能受到其有限的光敏范围和快速的光致电子-空穴对复合的严重限制。克服这些限制的一种实用而有效的方法是将Bi12TiO20与足够的光催化剂结合以产生异质结。本研究采用一步溶剂热法合成Bi12TiO20/Bi4Ti3O12异质结(BTO)。B12TiO20和Bi4Ti3O12之间存在的电场与封闭的界面接触对构建的复合材料具有协同作用,从而获得了较高的电荷转移能力。因此,BTO异质结在紫外线照射下表现出更高的光催化效率。最佳BTO对MO的去除率为97.15%,显著高于纯Bi2O3的46.9%。此外,循环实验证明了BTO异质结的稳定性和可重复使用性。研究了不同清除剂在BTO异质结上光催化氧化MO的可能机理。•OH自由基和空穴在BTO体系光催化氧化过程中起着至关重要的作用。
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引用次数: 0
Architectural design, fabrication techniques, characteristics parameters and different applications for OLED along with some OTFT driven OLEDs: A review 有机发光二极管的结构设计、制造技术、特性参数和不同应用,以及一些OTFT驱动的有机发光二极管:综述
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-07-26 DOI: 10.3233/mgc-220088
Sugandha Yadav, P. Mittal, S. Negi
In consumer electronics, Organic LED (OLED) has become mainstream display technology. Using organic materials, opto-electronics devices have become extensively desirable for various reasons. One of the fundamental properties i.e., flexibility permits to fabricate electronic circuits on flexible substrates to make these devices bendable and stretchable. This paper provides a review on various terms of OLED like fabrication methods, operation of OLED, its categorization, few OTFT driven OLEDs, stability issues of white OLED and various applications of OLED based on sensors, display, and lighting. Different lighting devices like incandescent bulb, tube light, CFL, LED and OLED are compared on the basis of their efficiency and lifetime. The comparison highlights that the LED provides good lifetime, however, for OLED it depends on the organic semiconducting materials responsible for emission. Different layers such as charge injection layers, transport layers and blocking layer to refine the properties of organic LEDs are also studied and compared. Addition to this, a low-cost methodology is also incorporated for the fabrication of flexible devices.
在消费电子领域,有机发光二极管(OLED)已经成为主流的显示技术。由于各种原因,使用有机材料的光电器件已成为广泛需要的。其中一个基本特性,即灵活性,允许在柔性基板上制造电子电路,使这些设备可弯曲和可拉伸。本文综述了OLED的各种术语,如OLED的制造方法,OLED的操作,OLED的分类,少数OTFT驱动的OLED,白色OLED的稳定性问题以及基于传感器,显示和照明的OLED的各种应用。不同的照明设备,如白炽灯,灯管,CFL, LED和OLED的效率和寿命的基础上进行比较。对比表明,LED提供了良好的使用寿命,然而,对于OLED来说,它取决于负责发射的有机半导体材料。本文还研究和比较了不同层如电荷注入层、传输层和阻挡层来改进有机led的性能。除此之外,柔性器件的制造还采用了低成本的方法。
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引用次数: 0
Tri-butyltin(IV)phenoxyacetohydroxamate: Synthesis, characterization, biological evaluation and molecular docking studies 三丁基锡(IV)苯氧乙酰羟酸酯:合成、表征、生物学评价和分子对接研究
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2023-07-26 DOI: 10.3233/mgc-230008
Vandna Sharma, V. Choudhary
The tri-organotin(IV) complex of composition [n-Bu3Sn(C6H5OCH2CONHO)] has been synthesized by using Bu3SnCl and potassium phenoxyacetohydroxamate ligand (KPAH) in pre-determined molar ratio of methanol and tetrahydrofuran. These are characterized by spectral techniques like FTIR, 1 H NMR and mass spectrometry. Studies on electrochemical processes are carried out using cyclic voltammetry. The in vitro antibacterial and antifungal activities performed by using minimum inhibitory concentration (MIC) method has revealed complex as biologically active. Molecular docking of the ligand and complex has been performed against the fungal receptor (PDB ID: 1UKC) to study the interactions between compound and receptor.
在预先确定的甲醇和四氢呋喃的摩尔比下,以Bu3SnCl和苯氧乙酰羟肟酸钾配体(KPAH)为原料合成了三有机锡(IV)配合物[n-Bu3Sn(C6H5OCH2CONHO)]。这些都是通过FTIR、1h NMR和质谱等光谱技术来表征的。利用循环伏安法对电化学过程进行了研究。用最小抑菌浓度(MIC)法测定其体外抗菌和抗真菌活性,发现其具有生物活性。针对真菌受体(PDB ID: 1UKC)进行配体与复合物的分子对接,研究化合物与受体之间的相互作用。
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引用次数: 0
Synthesis, characterization, and applications of lanthanide ortho ferrites 镧系铁氧化物的合成、表征及应用
4区 化学 Q4 Materials Science Pub Date : 2023-06-16 DOI: 10.3233/mgc-220072
L. Sakaya Sheela, B. Anna Benedict, B. Jebasingh, V. Manickam, J. Sumathi
In our current study, we demonstrate that lanthanum and yttrium ortho ferrites can be synthesized using a combustion process called self-propagating, high-temperature synthesis (SHS) using lanthanum(III) oxide and yttrium(III)oxide, chromium oxide, Iron metal, and potassium perchlorate as raw materials. Synthesized lanthanide and yttrium orthoferrites were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric differential scanning calorimetry techniques. The results show that the synthesized orthoferrites are of high quality with particle sizes less than 100 nm and showing less agglomeration. Synthesized lanthanum and yttrium orthoferrites exhibited electrical conductivities around 50 kHz for different temperatures ranging from 35 to 500°C. The rise in conductivity is found to be linear with an increase in temperature. Herein, our work paves way for low-cost, large-scale production of lanthanide orthoferrites without the need for reaction solvents, which greatly opens up the scope for combustion-based synthesis approaches.
在我们目前的研究中,我们证明了镧和钇的正位铁氧体可以用一种称为自传播的燃烧过程合成,高温合成(SHS),以镧(III)氧化物和钇(III)氧化物、氧化铬、铁金属和高氯酸钾为原料。采用x射线衍射、扫描电镜、能量色散x射线能谱和热重差示扫描量热技术对合成的镧系和钇系正铁氧体进行了表征。结果表明,所合成的正铁氧体具有良好的质量,粒径小于100 nm,团聚现象较少。合成的镧和钇正铁氧体在35 ~ 500℃的不同温度下的电导率在50 kHz左右。人们发现电导率的上升与温度的升高成线性关系。在此,我们的工作为低成本、大规模生产镧系正铁氧体铺平了道路,而不需要反应溶剂,这极大地开辟了基于燃烧的合成方法的范围。
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引用次数: 0
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Main Group Chemistry
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