A diatomaceous earth (DE)-based adsorbent DE-Ce was prepared and optimized to remove phosphorus from wastewater. DE was modified through purification–cerium loading, improving its phosphorus adsorption capacity and recycling ability. The preparation conditions were optimized using the Box–Behnken design, and the response surface method was employed to analyze the effects of roasting temperature, cerium concentration, and HCl concentration on the preparation of DE-Ce. Scanning electron microscopy, X-ray fluorescence spectrometry, and X-ray photoelectron spectroscopy were used for characterization, with results indicating that HCl washing can effectively remove impurities. Cerium was mainly loaded onto DE in the form of Ce(OH)3, and pore size and capacity increased following cerium loading, with the formation of a macroporous structure. The obtained DE-Ce adsorbent removed 98.30% phosphorous, with the removal process following the secondary kinetic and Langmuir models. According to material characterization and model analysis results, the phosphorus removal mechanism primarily involves electrostatic adsorption, ligand exchange, and precipitation. Overall, the findings indicate that cerium modification can effectively improve the adsorption capacity of DE.
制备并优化了一种基于硅藻土（DE）的吸附剂 DE-Ce，用于去除废水中的磷。通过对硅藻土进行纯化-铈负载改性，提高了其对磷的吸附能力和循环利用能力。采用 Box-Behnken 设计优化了制备条件，并采用响应面法分析了焙烧温度、铈浓度和盐酸浓度对 DE-Ce 制备的影响。采用扫描电子显微镜、X 射线荧光光谱和 X 射线光电子能谱进行表征，结果表明盐酸洗涤能有效去除杂质。铈主要以 Ce(OH)3 的形式负载到 DE 上，负载铈后孔径和容量增加，并形成大孔结构。得到的 DE-Ce 吸附剂对磷的去除率为 98.30%，去除过程遵循二级动力学和 Langmuir 模型。根据材料表征和模型分析结果，除磷机理主要包括静电吸附、配体交换和沉淀。总之，研究结果表明，铈改性可有效提高 DE 的吸附能力。
{"title":"Preparation and Optimization of the Adsorbent for Phosphorus Removal Using the Response Surface Method","authors":"Zhanmei Zhang, Zuqin Zou, Xiaoyu Ren, Yunxuan Huang, Yang Deng, Huaili Zheng","doi":"10.3390/magnetochemistry10010005","DOIUrl":"https://doi.org/10.3390/magnetochemistry10010005","url":null,"abstract":"A diatomaceous earth (DE)-based adsorbent DE-Ce was prepared and optimized to remove phosphorus from wastewater. DE was modified through purification–cerium loading, improving its phosphorus adsorption capacity and recycling ability. The preparation conditions were optimized using the Box–Behnken design, and the response surface method was employed to analyze the effects of roasting temperature, cerium concentration, and HCl concentration on the preparation of DE-Ce. Scanning electron microscopy, X-ray fluorescence spectrometry, and X-ray photoelectron spectroscopy were used for characterization, with results indicating that HCl washing can effectively remove impurities. Cerium was mainly loaded onto DE in the form of Ce(OH)3, and pore size and capacity increased following cerium loading, with the formation of a macroporous structure. The obtained DE-Ce adsorbent removed 98.30% phosphorous, with the removal process following the secondary kinetic and Langmuir models. According to material characterization and model analysis results, the phosphorus removal mechanism primarily involves electrostatic adsorption, ligand exchange, and precipitation. Overall, the findings indicate that cerium modification can effectively improve the adsorption capacity of DE.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"20 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139443362","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-02DOI: 10.3390/magnetochemistry10010004
C. Marin, I. Malaescu
The magnetic permeability (μ), dielectric permittivity (ε) and electrical conductivity (σ) of six elastomer samples obtained by mixing silicone rubber (RTV-530) with a kerosene-based ferrofluid in different volume fractions (φ), 1.31%, 2.59% and 3.84%, were determined using complex impedance measurements over a frequency range of 500 Hz–2 MHz. Three samples (A0, B0 and C0) were manufactured in the absence of a magnetic field, and the other three samples (Ah, Bh and Ch) were manufactured in the presence of a magnetic field, H = 43 kA/m. The component μ″ of the complex effective magnetic permeability of all samples presents a maximum at a frequency, fmax, that moves to higher values by increasing φ, with this maximum being attributed to Brownian relaxation processes. The conductivity spectrum, σ (f), of all samples follows the Jonscher universal law, which allows for both the determination of the static conductivity, σDC, and the barrier energy of the electrical conduction process, Wm. For the same φ, Wm is lower, and σDC is higher in the samples Ah, Bh and Ch than in the samples A0, B0 and C0. The performed study is useful in manufacturing elastomers with predetermined properties and for possible applications such as magneto-dielectric flexible electronic devices, which can be controlled by the volume fraction of particles or by an external magnetic field.
{"title":"The Effect of Magnetically Induced Local Structure and Volume Fraction on the Electromagnetic Properties of Elastomer Samples with Ferrofluid Droplet Inserts","authors":"C. Marin, I. Malaescu","doi":"10.3390/magnetochemistry10010004","DOIUrl":"https://doi.org/10.3390/magnetochemistry10010004","url":null,"abstract":"The magnetic permeability (μ), dielectric permittivity (ε) and electrical conductivity (σ) of six elastomer samples obtained by mixing silicone rubber (RTV-530) with a kerosene-based ferrofluid in different volume fractions (φ), 1.31%, 2.59% and 3.84%, were determined using complex impedance measurements over a frequency range of 500 Hz–2 MHz. Three samples (A0, B0 and C0) were manufactured in the absence of a magnetic field, and the other three samples (Ah, Bh and Ch) were manufactured in the presence of a magnetic field, H = 43 kA/m. The component μ″ of the complex effective magnetic permeability of all samples presents a maximum at a frequency, fmax, that moves to higher values by increasing φ, with this maximum being attributed to Brownian relaxation processes. The conductivity spectrum, σ (f), of all samples follows the Jonscher universal law, which allows for both the determination of the static conductivity, σDC, and the barrier energy of the electrical conduction process, Wm. For the same φ, Wm is lower, and σDC is higher in the samples Ah, Bh and Ch than in the samples A0, B0 and C0. The performed study is useful in manufacturing elastomers with predetermined properties and for possible applications such as magneto-dielectric flexible electronic devices, which can be controlled by the volume fraction of particles or by an external magnetic field.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"122 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139391467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-24DOI: 10.3390/magnetochemistry10010002
M. Molčan, A. Skumiel, Jana Tóthová, K. Paulovičová, P. Kopčanský, M. Timko
High-frequency components such as microprocessors, transistors, antennas, voltage-controlled oscillators, and many others generate a large amount of heat. In the absence of satisfactory cooling, these components may suffer damage or even destruction. Therefore, it is important to find effective ways to cool these components. A possible solution is to use oil-based magnetic fluids. Magnetic fluids contain magnetic particles dispersed in oil, and their properties, including viscosity, affect their cooling capabilities. Viscosity can be changed by adding various additives or by adjusting the concentration of magnetic particles. The advantage of using oil-based magnetic fluids for cooling is that they allow for precise dosing and control of the amount of fluid applied to the component, reducing thermal losses and increasing cooling efficiency. In addition, oil-based magnetic fluids can also act as a dielectric, reducing electrical noise and increasing electromagnetic compatibility with the components. Analyzing the heating rate of magnetic fluids consisting of mineral oils in an alternating magnetic field with a frequency of 500 kHz, we have shown the capability of controlling thermal losses by adjusting the viscosity of the carrier liquid.
{"title":"The Influence of Viscosity on Heat Dissipation under Conditions of the High-Frequency Oscillating Magnetic Field","authors":"M. Molčan, A. Skumiel, Jana Tóthová, K. Paulovičová, P. Kopčanský, M. Timko","doi":"10.3390/magnetochemistry10010002","DOIUrl":"https://doi.org/10.3390/magnetochemistry10010002","url":null,"abstract":"High-frequency components such as microprocessors, transistors, antennas, voltage-controlled oscillators, and many others generate a large amount of heat. In the absence of satisfactory cooling, these components may suffer damage or even destruction. Therefore, it is important to find effective ways to cool these components. A possible solution is to use oil-based magnetic fluids. Magnetic fluids contain magnetic particles dispersed in oil, and their properties, including viscosity, affect their cooling capabilities. Viscosity can be changed by adding various additives or by adjusting the concentration of magnetic particles. The advantage of using oil-based magnetic fluids for cooling is that they allow for precise dosing and control of the amount of fluid applied to the component, reducing thermal losses and increasing cooling efficiency. In addition, oil-based magnetic fluids can also act as a dielectric, reducing electrical noise and increasing electromagnetic compatibility with the components. Analyzing the heating rate of magnetic fluids consisting of mineral oils in an alternating magnetic field with a frequency of 500 kHz, we have shown the capability of controlling thermal losses by adjusting the viscosity of the carrier liquid.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"90 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139159916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-20DOI: 10.3390/magnetochemistry10010001
Laura C. J. Pereira, D. Belo
In the commemorative Special Issue titled “Insights into Functional Molecular Materials—A Themed Collection Honoring Professor Manuel Almeida on His 70th Birthday”, eminent researchers from around the globe in the field of molecular materials science come together to acknowledge and celebrate the notable scientific contributions of Professor Almeida [...]
{"title":"Functional Molecular Materials Insights","authors":"Laura C. J. Pereira, D. Belo","doi":"10.3390/magnetochemistry10010001","DOIUrl":"https://doi.org/10.3390/magnetochemistry10010001","url":null,"abstract":"In the commemorative Special Issue titled “Insights into Functional Molecular Materials—A Themed Collection Honoring Professor Manuel Almeida on His 70th Birthday”, eminent researchers from around the globe in the field of molecular materials science come together to acknowledge and celebrate the notable scientific contributions of Professor Almeida [...]","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"5 2","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139168810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-18DOI: 10.3390/magnetochemistry9120233
Yen-Ju Chen, Yan-Hom Li, Ching-Yao Chen
In comparison to alternative methods for hydrogen production, water electrolysis stands out as the optimal means for obtaining ultra-pure hydrogen. However, its widespread adoption is significantly hampered by its low energy efficiency. It has been established that the introduction of an external magnetic field can mitigate energy consumption, consequently enhancing electrolysis efficiency. While much of the research has revealed that an electrode–parallel magnetic field plays a crucial role in enhancing the bubble detachment process, there has been limited exploration of the effect of electrode–normal magnetic fields. In this work, we compare the water electrolysis efficiency of a circular electrode subjected to electrode–normal magnetic field resulting in a magnet edge effect and electrode edge effect by varying the sizes of the magnet and electrode. The findings indicate that a rotational flow caused by the Lorentz force facilitates the detachment of the hydrogen from the electrode surface. However, the rotation direction of hydrogen gas bubbles generated by the magnet edge effect is opposite to that of electrode edge effect. Furthermore, the magnet edge effect has more significant influence on the hydrogen bubbles’ locomotion than the electrode edge effect. With an electrode gap of 30 mm, employing the magnet edge effect generated by a single magnet leads to an average of 4.9% increase in current density. On the other hand, the multiple magnet effects created by multiple small magnets under the electrode can further result in an average 6.6% increase in current density. Nevertheless, at an electrode spacing of 50 mm, neither the magnet edge effect nor the electrode edge effect demonstrates a notable enhancement in conductivity. In reality, the electrode edge effect even leads to a reduction in conductivity.
{"title":"Effect of Electrode–Normal Magnetic Field on the Motion of Hydrogen Bubbles","authors":"Yen-Ju Chen, Yan-Hom Li, Ching-Yao Chen","doi":"10.3390/magnetochemistry9120233","DOIUrl":"https://doi.org/10.3390/magnetochemistry9120233","url":null,"abstract":"In comparison to alternative methods for hydrogen production, water electrolysis stands out as the optimal means for obtaining ultra-pure hydrogen. However, its widespread adoption is significantly hampered by its low energy efficiency. It has been established that the introduction of an external magnetic field can mitigate energy consumption, consequently enhancing electrolysis efficiency. While much of the research has revealed that an electrode–parallel magnetic field plays a crucial role in enhancing the bubble detachment process, there has been limited exploration of the effect of electrode–normal magnetic fields. In this work, we compare the water electrolysis efficiency of a circular electrode subjected to electrode–normal magnetic field resulting in a magnet edge effect and electrode edge effect by varying the sizes of the magnet and electrode. The findings indicate that a rotational flow caused by the Lorentz force facilitates the detachment of the hydrogen from the electrode surface. However, the rotation direction of hydrogen gas bubbles generated by the magnet edge effect is opposite to that of electrode edge effect. Furthermore, the magnet edge effect has more significant influence on the hydrogen bubbles’ locomotion than the electrode edge effect. With an electrode gap of 30 mm, employing the magnet edge effect generated by a single magnet leads to an average of 4.9% increase in current density. On the other hand, the multiple magnet effects created by multiple small magnets under the electrode can further result in an average 6.6% increase in current density. Nevertheless, at an electrode spacing of 50 mm, neither the magnet edge effect nor the electrode edge effect demonstrates a notable enhancement in conductivity. In reality, the electrode edge effect even leads to a reduction in conductivity.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"74 7","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139173816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-18DOI: 10.3390/magnetochemistry9120232
L. Zárybnická, M. Pagáč, R. Ševčík, Jaroslav Pokorný, Martin Marek
This work aims to characterize 3D-printed structures composed of a thermoplastic material (polylactic acid (PLA)) containing a combination of magnetic particles composed of iron(III) oxide (hematite) and iron(II)–iron (III) oxide (magnetite) with various infill densities and print orientations in regard to their possible processing by Fused Filament Fabrication additive technology. The correct processing temperatures have been determined using thermal analysis, and the paramagnetic and mechanical properties of the samples have been tested. The relative permeability has been identified to be strongly dependent on the topology parameters of the tested samples. The results of the inductance values for the samples without magnetic additives (infill densities 50% and 100%) have been detected to be comparable; nonetheless, the magnetic samples with 100% infill density has been found to be about 50% higher. A similar trend has been observed in the case of the values of the relative permeability, where the magnetic samples with 100% infill density have been measured as having an about 40% increased relative permeability in the comparison with the samples without magnetic additives (infill densities 20–100%). Finite Element Modelling (FEM) simulations have been applied to determine the magnetic field distributions and, moreover, to calculate the holding forces of all the printed samples. The maximum value of the holding force for the minimum distance of the plastic plate has been found to reach a value of almost 300 N (magnetic sample with 100% infill density). The obtained comprehensive characterization of the printed samples may be utilized for designing and tuning the desired properties of the samples needed in various industrial applications.
{"title":"Effect of Topology Parameters on Physical–Mechanical Properties of Magnetic PLA 3D-Printed Structures","authors":"L. Zárybnická, M. Pagáč, R. Ševčík, Jaroslav Pokorný, Martin Marek","doi":"10.3390/magnetochemistry9120232","DOIUrl":"https://doi.org/10.3390/magnetochemistry9120232","url":null,"abstract":"This work aims to characterize 3D-printed structures composed of a thermoplastic material (polylactic acid (PLA)) containing a combination of magnetic particles composed of iron(III) oxide (hematite) and iron(II)–iron (III) oxide (magnetite) with various infill densities and print orientations in regard to their possible processing by Fused Filament Fabrication additive technology. The correct processing temperatures have been determined using thermal analysis, and the paramagnetic and mechanical properties of the samples have been tested. The relative permeability has been identified to be strongly dependent on the topology parameters of the tested samples. The results of the inductance values for the samples without magnetic additives (infill densities 50% and 100%) have been detected to be comparable; nonetheless, the magnetic samples with 100% infill density has been found to be about 50% higher. A similar trend has been observed in the case of the values of the relative permeability, where the magnetic samples with 100% infill density have been measured as having an about 40% increased relative permeability in the comparison with the samples without magnetic additives (infill densities 20–100%). Finite Element Modelling (FEM) simulations have been applied to determine the magnetic field distributions and, moreover, to calculate the holding forces of all the printed samples. The maximum value of the holding force for the minimum distance of the plastic plate has been found to reach a value of almost 300 N (magnetic sample with 100% infill density). The obtained comprehensive characterization of the printed samples may be utilized for designing and tuning the desired properties of the samples needed in various industrial applications.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" 7","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138964376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-19DOI: 10.3390/magnetochemistry9110231
Kai Wang, Liqin Yan, Youguo Shi, Baogen Shen, Lunhua He, Fangwei Wang, Jun Lu, Tongyun Zhao, Zunming Lu
Among the 5d transition metal iridates, Sr2IrO4, which has a layered chalcogenide structure, has received much attention due to its strong spin–orbit coupling (SOC), which produces Mott insulating states and anomalous physical behaviors. In this paper, the microscopic magnetism of Sr2IrO4 is studied with electron spin resonance (ESR) measurements. The Lande factor g of the ferromagnetic resonance signal of Sr2IrO4 shows anomalous behavior compared to typical ferromagnets. It gradually decreases, and the corresponding resonance field Hr increases, with decreasing temperature. The various physical parameters. including the saturated magnetic field Hs derived from M-H, Hr, ΔHpp, the g factor and the intensity I extracted from ESR spectra, are analyzed in detail. Eventually, it is revealed that the anomalous behavior of the g-factor is induced by in-plane Dzyaloshinsky–Moriya interaction (DMI) rather than the SOC effect.
在 5d 过渡金属铱酸盐中，具有层状铬化结构的 Sr2IrO4 因其强自旋轨道耦合（SOC）而备受关注，SOC 可产生莫特绝缘态和反常物理行为。本文通过电子自旋共振（ESR）测量研究了 Sr2IrO4 的微观磁性。与典型的铁磁体相比，Sr2IrO4 铁磁共振信号的兰德因子 g 显示出异常行为。它随着温度的降低而逐渐减小，相应的共振场 Hr 也随之增大。我们详细分析了各种物理参数，包括由 M-H、Hr、ΔHpp 得出的饱和磁场 Hs，以及从 ESR 光谱中提取的 g 因子和强度 I。最终发现 g 因子的反常行为是由面内 Dzyaloshinsky-Moriya 相互作用 (DMI) 而不是 SOC 效应引起的。
{"title":"Dzyaloshinsky–Moriya Interaction Induced Anomalous g Behavior of Sr2IrO4 Probed by Electron Spin Resonance","authors":"Kai Wang, Liqin Yan, Youguo Shi, Baogen Shen, Lunhua He, Fangwei Wang, Jun Lu, Tongyun Zhao, Zunming Lu","doi":"10.3390/magnetochemistry9110231","DOIUrl":"https://doi.org/10.3390/magnetochemistry9110231","url":null,"abstract":"Among the 5d transition metal iridates, Sr2IrO4, which has a layered chalcogenide structure, has received much attention due to its strong spin–orbit coupling (SOC), which produces Mott insulating states and anomalous physical behaviors. In this paper, the microscopic magnetism of Sr2IrO4 is studied with electron spin resonance (ESR) measurements. The Lande factor g of the ferromagnetic resonance signal of Sr2IrO4 shows anomalous behavior compared to typical ferromagnets. It gradually decreases, and the corresponding resonance field Hr increases, with decreasing temperature. The various physical parameters. including the saturated magnetic field Hs derived from M-H, Hr, ΔHpp, the g factor and the intensity I extracted from ESR spectra, are analyzed in detail. Eventually, it is revealed that the anomalous behavior of the g-factor is induced by in-plane Dzyaloshinsky–Moriya interaction (DMI) rather than the SOC effect.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"24 2","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139259905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-18DOI: 10.3390/magnetochemistry9110230
J. Horcheni, H. Jaballah, Essebti Dhahri, L. Bessais
In this study, we give a thorough evaluation of the structural, magnetic, and magnetocaloric properties in iron-rich PrFe11Ti intermetallic alloy with ThMn12-type structure using a combination of experimental and theoretical analysis. X-ray diffraction coupled with Rietveld refinement was used to characterize the structure, which revealed a unique tetragonal crystal structure with I4/mmm space group. The 8i site was identified as the preferred site for the Ti atom. This finding was confirmed by various techniques, including XRD, DFT, and Mössbauer spectrometry. Magnetic properties were studied through intrinsic magnetic measurements and magnetocaloric effect analysis. Mössbauer spectroscopy was employed to probe the local magnetic environment and for further characterization of the material’s magnetic properties. The experimental results were complemented by theoretical calculations based on density functional theory (DFT). A promising magnetocaloric effect is observed, with a significant maximum magnetic entropy (−ΔSMmax = 2.5 J·kg−1·K−1) and a relative cooling power about 70 J·kg−1 under low magnetic field change μ0ΔH = 1.5 T. Overall, our results provide a deeper understanding of the structural and magnetic properties of the material under study and demonstrate the effectiveness of the combined experimental and theoretical approach in the investigation of complex materials. The insights gained from this study could have implications for the development of advanced magnetic materials with enhanced properties for potential magnetic applications.
{"title":"Exploring Crystal Structure, Hyperfine Parameters, and Magnetocaloric Effect in Iron-Rich Intermetallic Alloy with ThMn12-Type Structure: A Comprehensive Investigation Using Experimental and DFT Calculation","authors":"J. Horcheni, H. Jaballah, Essebti Dhahri, L. Bessais","doi":"10.3390/magnetochemistry9110230","DOIUrl":"https://doi.org/10.3390/magnetochemistry9110230","url":null,"abstract":"In this study, we give a thorough evaluation of the structural, magnetic, and magnetocaloric properties in iron-rich PrFe11Ti intermetallic alloy with ThMn12-type structure using a combination of experimental and theoretical analysis. X-ray diffraction coupled with Rietveld refinement was used to characterize the structure, which revealed a unique tetragonal crystal structure with I4/mmm space group. The 8i site was identified as the preferred site for the Ti atom. This finding was confirmed by various techniques, including XRD, DFT, and Mössbauer spectrometry. Magnetic properties were studied through intrinsic magnetic measurements and magnetocaloric effect analysis. Mössbauer spectroscopy was employed to probe the local magnetic environment and for further characterization of the material’s magnetic properties. The experimental results were complemented by theoretical calculations based on density functional theory (DFT). A promising magnetocaloric effect is observed, with a significant maximum magnetic entropy (−ΔSMmax = 2.5 J·kg−1·K−1) and a relative cooling power about 70 J·kg−1 under low magnetic field change μ0ΔH = 1.5 T. Overall, our results provide a deeper understanding of the structural and magnetic properties of the material under study and demonstrate the effectiveness of the combined experimental and theoretical approach in the investigation of complex materials. The insights gained from this study could have implications for the development of advanced magnetic materials with enhanced properties for potential magnetic applications.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"82 978 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139262338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-16DOI: 10.3390/magnetochemistry9110229
Petr Halaš, Ivan Nemec, R. Herchel
The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.
制备了含有反式肉桂酸（Hcin）和新乌头原碱（neo）的六配位 Co(II) 复合物 [Co(neo)2(cin)][BPh4]-½Me2CO（1-½Me2CO）。化合物 1-½Me2CO 通过单晶 X 射线分析、傅立叶变换红外光谱和磁性测量进行了表征。配合物阳离子的配位多面体呈变形的八面体形状，肉桂酸盐表现出双齿配位模式，这在单核 Co(II) 肉桂酸盐配合物中并不多见。利用零场分裂（ZFS）自旋哈密顿分析直流磁性测量结果发现，轴向 ZFS 参数 D = +53.2 cm-1 定义了较大的磁各向异性。交流电感测量显示，在外加磁场下磁化弛豫缓慢；因此，1-½Me2CO 表现为场诱导的单分子磁体。CASSCF/NEVPT2 计算也为磁性分析提供了支持。
{"title":"Honey-like Odor Meets Single-Ion Magnet: Synthesis, Crystal Structure, and Magnetism of Cobalt(II) Complex with Aromatic Trans-Cinnamic Acid","authors":"Petr Halaš, Ivan Nemec, R. Herchel","doi":"10.3390/magnetochemistry9110229","DOIUrl":"https://doi.org/10.3390/magnetochemistry9110229","url":null,"abstract":"The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"849 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139269775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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