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Compatibility of LaFe13−x−yMnxSiyH1.6 and Eutectic Liquid GaInSn Alloy LaFe13-x-yMnxSiyH1.6 与共晶液态 GaInSn 合金的兼容性
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-12 DOI: 10.3390/magnetochemistry10020013
J. Brechtl, J. Rendall, Mingkan Zhang, Michael R. Koehler, Kashif Nawaz, A. Momen
The heat transfer rate of magnetocaloric regenerators is a topic of extensive research and the cyclability of these regenerators is critical to the operation of systems with a high coefficient of performance (e.g., potentially >22, significantly higher than typical vapor compression cooling technologies). To enable a high operating frequency that will result in a high specific cooling power, the heat transfer fluid should have high thermal conductivity and lower specific heat, i.e., higher thermal diffusivity. Eutectic metal alloys possess these qualities, such as gallium–indium–tin (Galinstan), whose thermal diffusivity has been found to be approximately an order of magnitude higher than water. For this study, the effects of eutectic liquid Galinstan exposure on the phase stability of LaFe13−x−yMnxSiyH1.6 magnetocaloric powders in an active magnetic regenerator device were investigated. The powders were characterized before and after exposure to Galinstan using X-ray diffraction, in which the phases were determined using the Rietveld refinement technique and X-ray fluorescence. It was found that after Galinstan exposure, hydrogen containing phases were present in the powder, suggesting that the hydrogen was lost from the magnetocaloric phase. The magnetocaloric phase degradation indicates that the powder was incompatible with the Galinstan metal in an environment with moisture.
磁致再生器的传热速率是一个广泛研究的课题,这些再生器的可循环性对于高性能系数(例如,可能大于 22,明显高于典型的蒸汽压缩冷却技术)系统的运行至关重要。为了实现高工作频率,从而获得较高的比冷却功率,导热流体应具有较高的热传导率和较低的比热,即较高的热扩散率。共晶金属合金具有这些特性,例如镓-铟-锡(Galinstan),其热扩散系数比水高大约一个数量级。本研究调查了共晶液 Galinstan 暴露对有源磁性再生器装置中 LaFe13-x-yMnxSiyH1.6 磁性粉末相稳定性的影响。使用 X 射线衍射法对暴露于 Galinstan 之前和之后的粉末进行了表征,其中使用 Rietveld 精炼技术和 X 射线荧光法确定了相位。结果发现,在接触 Galinstan 之后,粉末中出现了含氢相,这表明氢从磁致相中流失了。磁致相的降解表明,在有湿气的环境中,粉末与 Galinstan 金属不相容。
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引用次数: 0
Compatibility of LaFe13−x−yMnxSiyH1.6 and Eutectic Liquid GaInSn Alloy LaFe13-x-yMnxSiyH1.6 与共晶液态 GaInSn 合金的兼容性
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-12 DOI: 10.3390/magnetochemistry10020013
J. Brechtl, J. Rendall, Mingkan Zhang, Michael R. Koehler, Kashif Nawaz, A. Momen
The heat transfer rate of magnetocaloric regenerators is a topic of extensive research and the cyclability of these regenerators is critical to the operation of systems with a high coefficient of performance (e.g., potentially >22, significantly higher than typical vapor compression cooling technologies). To enable a high operating frequency that will result in a high specific cooling power, the heat transfer fluid should have high thermal conductivity and lower specific heat, i.e., higher thermal diffusivity. Eutectic metal alloys possess these qualities, such as gallium–indium–tin (Galinstan), whose thermal diffusivity has been found to be approximately an order of magnitude higher than water. For this study, the effects of eutectic liquid Galinstan exposure on the phase stability of LaFe13−x−yMnxSiyH1.6 magnetocaloric powders in an active magnetic regenerator device were investigated. The powders were characterized before and after exposure to Galinstan using X-ray diffraction, in which the phases were determined using the Rietveld refinement technique and X-ray fluorescence. It was found that after Galinstan exposure, hydrogen containing phases were present in the powder, suggesting that the hydrogen was lost from the magnetocaloric phase. The magnetocaloric phase degradation indicates that the powder was incompatible with the Galinstan metal in an environment with moisture.
磁致再生器的传热速率是一个广泛研究的课题,这些再生器的可循环性对于高性能系数(例如,可能大于 22,明显高于典型的蒸汽压缩冷却技术)系统的运行至关重要。为了实现高工作频率,从而获得较高的比冷却功率,导热流体应具有较高的热传导率和较低的比热,即较高的热扩散率。共晶金属合金具有这些特性,例如镓-铟-锡(Galinstan),其热扩散系数比水高大约一个数量级。本研究调查了共晶液 Galinstan 暴露对有源磁性再生器装置中 LaFe13-x-yMnxSiyH1.6 磁性粉末相稳定性的影响。使用 X 射线衍射法对暴露于 Galinstan 之前和之后的粉末进行了表征,其中使用 Rietveld 精炼技术和 X 射线荧光法确定了相位。结果发现,在接触 Galinstan 之后,粉末中出现了含氢相,这表明氢从磁致相中流失了。磁致相的降解表明,在有湿气的环境中,粉末与 Galinstan 金属不相容。
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引用次数: 0
Experimental Thermal Conductivity Studies of Agar-Based Aqueous Suspensions with Lignin Magnetic Nanocomposites 含有木质素磁性纳米复合材料的琼脂基水悬浮液的实验导热性研究
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-10 DOI: 10.3390/magnetochemistry10020012
Bishal Gautam, S. M. N. Al-Ajrash, Mohammad Jahid Hasan, Abhishek Saini, Sarah J. Watzman, E. Ureña-Benavides, Erick S. Vasquez-Guardado
Nanoparticle additives increase the thermal conductivity of conventional heat transfer fluids at low concentrations, which leads to improved heat transfer fluids and processes. This study investigates lignin-coated magnetic nanocomposites (lignin@Fe3O4) as a novel bio-based magnetic nanoparticle additive to enhance the thermal conductivity of aqueous-based fluids. Kraft lignin was used to encapsulate the Fe3O4 nanoparticles to prevent agglomeration and oxidation of the magnetic nanoparticles. Lignin@Fe3O4 nanoparticles were prepared using a pH-driven co-precipitation method with a 3:1 lignin to magnetite ratio and characterized by X-ray diffraction, FT-IR, thermogravimetric analysis, and transmission electron microscopy. The magnetic properties were characterized using a vibrating sample magnetometer. Once fully characterized, lignin@Fe3O4 nanoparticles were dispersed in aqueous 0.1% w/v agar–water solutions at five different concentrations, from 0.001% w/v to 0.005% w/v. Thermal conductivity measurements were performed using the transient line heat source method at various temperatures. A maximum enhancement of 10% in thermal conductivity was achieved after adding 0.005% w/v lignin@Fe3O4 to the agar-based aqueous suspension at 45 °C. At room temperature (25 °C), the thermal conductivity of lignin@Fe3O4 and uncoated Fe3O4 agar-based suspensions was characterized at varying magnetic fields from 0 to 0.04 T, which were generated using a permanent magnet. For this analysis, the thermal conductivity of lignin magnetic nanosuspensions initially increased, showing a 5% maximum peak increase after applying a 0.02 T magnetic field, followed by a decreasing thermal conductivity at higher magnetic fields up to 0.04 T. This result is attributed to induced magnetic nanoparticle aggregation under external applied magnetic fields. Overall, this work demonstrates that lignin-coated Fe3O4 nanosuspension at low concentrations slightly increases the thermal conductivity of agar aqueous-based solutions, using a simple permanent magnet at room temperature or by adjusting temperature without any externally applied magnetic field.
纳米颗粒添加剂可在低浓度下提高传统导热流体的导热率,从而改进导热流体和工艺。本研究将木质素包覆的磁性纳米复合材料(木质素@Fe3O4)作为一种新型生物基磁性纳米粒子添加剂,用于提高水基流体的导热性。牛皮纸木质素被用来封装 Fe3O4 纳米粒子,以防止磁性纳米粒子的团聚和氧化。木质素@Fe3O4 纳米粒子采用 pH 值驱动共沉淀法制备,木质素与磁铁矿的比例为 3:1,并通过 X 射线衍射、傅立叶变换红外光谱、热重分析和透射电子显微镜进行表征。使用振动样品磁力计对磁性能进行了表征。表征完成后,将木质素@Fe3O4 纳米粒子分散在 0.1% w/v 的琼脂水溶液中,浓度从 0.001% w/v 到 0.005% w/v 不等。使用瞬态线热源法在不同温度下进行了热导率测量。在 45 °C 的琼脂基水悬浮液中添加 0.005% w/v 的木质素@Fe3O4 后,热导率最大提高了 10%。在室温(25 °C)下,木质素@Fe3O4 和未涂覆 Fe3O4 的琼脂基悬浮液在 0 到 0.04 T 的不同磁场(使用永久磁铁产生)下的导热性能得到了表征。在这项分析中,木质素磁性纳米悬浮液的热导率最初有所增加,在施加 0.02 T 磁场后显示出 5%的最大峰值增加,随后在 0.04 T 的较高磁场下热导率下降。总之,这项研究表明,在室温下使用简单的永磁体或在不施加任何外部磁场的情况下通过调节温度,低浓度木质素包覆的 Fe3O4 纳米悬浮液可轻微提高琼脂水基溶液的热导率。
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引用次数: 0
Experimental Thermal Conductivity Studies of Agar-Based Aqueous Suspensions with Lignin Magnetic Nanocomposites 含有木质素磁性纳米复合材料的琼脂基水悬浮液的实验导热性研究
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-10 DOI: 10.3390/magnetochemistry10020012
Bishal Gautam, S. M. N. Al-Ajrash, Mohammad Jahid Hasan, Abhishek Saini, Sarah J. Watzman, E. Ureña-Benavides, Erick S. Vasquez-Guardado
Nanoparticle additives increase the thermal conductivity of conventional heat transfer fluids at low concentrations, which leads to improved heat transfer fluids and processes. This study investigates lignin-coated magnetic nanocomposites (lignin@Fe3O4) as a novel bio-based magnetic nanoparticle additive to enhance the thermal conductivity of aqueous-based fluids. Kraft lignin was used to encapsulate the Fe3O4 nanoparticles to prevent agglomeration and oxidation of the magnetic nanoparticles. Lignin@Fe3O4 nanoparticles were prepared using a pH-driven co-precipitation method with a 3:1 lignin to magnetite ratio and characterized by X-ray diffraction, FT-IR, thermogravimetric analysis, and transmission electron microscopy. The magnetic properties were characterized using a vibrating sample magnetometer. Once fully characterized, lignin@Fe3O4 nanoparticles were dispersed in aqueous 0.1% w/v agar–water solutions at five different concentrations, from 0.001% w/v to 0.005% w/v. Thermal conductivity measurements were performed using the transient line heat source method at various temperatures. A maximum enhancement of 10% in thermal conductivity was achieved after adding 0.005% w/v lignin@Fe3O4 to the agar-based aqueous suspension at 45 °C. At room temperature (25 °C), the thermal conductivity of lignin@Fe3O4 and uncoated Fe3O4 agar-based suspensions was characterized at varying magnetic fields from 0 to 0.04 T, which were generated using a permanent magnet. For this analysis, the thermal conductivity of lignin magnetic nanosuspensions initially increased, showing a 5% maximum peak increase after applying a 0.02 T magnetic field, followed by a decreasing thermal conductivity at higher magnetic fields up to 0.04 T. This result is attributed to induced magnetic nanoparticle aggregation under external applied magnetic fields. Overall, this work demonstrates that lignin-coated Fe3O4 nanosuspension at low concentrations slightly increases the thermal conductivity of agar aqueous-based solutions, using a simple permanent magnet at room temperature or by adjusting temperature without any externally applied magnetic field.
纳米颗粒添加剂可在低浓度下提高传统导热流体的导热率,从而改进导热流体和工艺。本研究将木质素包覆的磁性纳米复合材料(木质素@Fe3O4)作为一种新型生物基磁性纳米粒子添加剂,用于提高水基流体的导热性。牛皮纸木质素被用来封装 Fe3O4 纳米粒子,以防止磁性纳米粒子的团聚和氧化。木质素@Fe3O4 纳米粒子采用 pH 值驱动共沉淀法制备,木质素与磁铁矿的比例为 3:1,并通过 X 射线衍射、傅立叶变换红外光谱、热重分析和透射电子显微镜进行表征。使用振动样品磁力计对磁性能进行了表征。表征完成后,将木质素@Fe3O4 纳米粒子分散在 0.1% w/v 的琼脂水溶液中,浓度从 0.001% w/v 到 0.005% w/v 不等。使用瞬态线热源法在不同温度下进行了热导率测量。在 45 °C 的琼脂基水悬浮液中添加 0.005% w/v 的木质素@Fe3O4 后,热导率最大提高了 10%。在室温(25 °C)下,木质素@Fe3O4 和未涂覆 Fe3O4 的琼脂基悬浮液在 0 到 0.04 T 的不同磁场(使用永久磁铁产生)下的导热性能得到了表征。在这项分析中,木质素磁性纳米悬浮液的热导率最初有所增加,在施加 0.02 T 磁场后显示出 5%的最大峰值增加,随后在 0.04 T 的较高磁场下热导率下降。总之,这项研究表明,在室温下使用简单的永磁体或在不施加任何外部磁场的情况下通过调节温度,低浓度木质素包覆的 Fe3O4 纳米悬浮液可轻微提高琼脂水基溶液的热导率。
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引用次数: 0
Optimal Selection for Redox Couples and Enhanced Performance through Magnetic Nanofluid Electrolyte in Solar Flow Batteries 太阳能流动电池中氧化还原偶的优化选择和磁性纳米流体电解质的性能提升
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-06 DOI: 10.3390/magnetochemistry10020011
Zixing Gu, Ping Lu, Zihan Zhang, Qiang Ma, H. Su, Qian Xu
The limited photoelectric conversion efficiency poses one of the critical constraints on commercializing solar flow batteries (SFBs). This study compares the chemical and photoelectrochemical properties of three commonly used redox couples. Additionally, magnetic Fe3O4 nanoparticles, for the first time, are introduced to optimize the electrolyte, and they are compared with the original electrolyte. Across different redox couples, the variations in semiconductor flat-band potentials and carrier concentrations result in changes in photoelectric current density. Notably, FeCl2/FeCl3 redox coupled with TiO2 photoelectrodes exhibits the highest photoelectric current density, reaching 75.7 µA cm−2. However, the trade-off of this electrolyte, i.e., providing high photocurrent while being unable to supply sufficient open-circuit voltage, imposes limitations on the practical application of SFBs. Alternatively, for TEMPO and 4-OH-TEMPO electrolytes, which can provide a higher open-circuit voltage, the electrochemical activity is enhanced, and the solution ohmic resistance is reduced by introducing magnetic nanoparticles to form a magnetic nanofluid. As a result, the photoanode’s photocurrent density increases by 36.6% and 17.0%, respectively, in the two electrolytes. The work reported here effectively addresses the current issue of low photocurrent density in SFBs and presents new optimization strategies for SFBs.
有限的光电转换效率是太阳能液流电池(SFB)商业化的关键制约因素之一。本研究比较了三种常用氧化还原偶的化学和光电化学特性。此外,还首次引入了磁性 Fe3O4 纳米粒子来优化电解液,并与原始电解液进行了比较。在不同的氧化还原偶中,半导体平带电位和载流子浓度的变化会导致光电流密度的变化。值得注意的是,FeCl2/FeCl3 氧化还原耦合 TiO2 光电电极表现出最高的光电流密度,达到 75.7 µA cm-2。然而,这种电解质需要权衡,即在提供高光电流的同时无法提供足够的开路电压,这就限制了 SFB 的实际应用。另外,TEMPO 和 4-OH-TEMPO 电解质可提供较高的开路电压,通过引入磁性纳米粒子形成磁性纳米流体,可增强电化学活性并降低溶液欧姆电阻。因此,在两种电解质中,光阳极的光电流密度分别增加了 36.6% 和 17.0%。本文报告的工作有效地解决了当前 SFB 光电流密度低的问题,并提出了 SFB 的新优化策略。
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引用次数: 0
Optimal Selection for Redox Couples and Enhanced Performance through Magnetic Nanofluid Electrolyte in Solar Flow Batteries 太阳能流动电池中氧化还原偶的优化选择和磁性纳米流体电解质的性能提升
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-06 DOI: 10.3390/magnetochemistry10020011
Zixing Gu, Ping Lu, Zihan Zhang, Qiang Ma, H. Su, Qian Xu
The limited photoelectric conversion efficiency poses one of the critical constraints on commercializing solar flow batteries (SFBs). This study compares the chemical and photoelectrochemical properties of three commonly used redox couples. Additionally, magnetic Fe3O4 nanoparticles, for the first time, are introduced to optimize the electrolyte, and they are compared with the original electrolyte. Across different redox couples, the variations in semiconductor flat-band potentials and carrier concentrations result in changes in photoelectric current density. Notably, FeCl2/FeCl3 redox coupled with TiO2 photoelectrodes exhibits the highest photoelectric current density, reaching 75.7 µA cm−2. However, the trade-off of this electrolyte, i.e., providing high photocurrent while being unable to supply sufficient open-circuit voltage, imposes limitations on the practical application of SFBs. Alternatively, for TEMPO and 4-OH-TEMPO electrolytes, which can provide a higher open-circuit voltage, the electrochemical activity is enhanced, and the solution ohmic resistance is reduced by introducing magnetic nanoparticles to form a magnetic nanofluid. As a result, the photoanode’s photocurrent density increases by 36.6% and 17.0%, respectively, in the two electrolytes. The work reported here effectively addresses the current issue of low photocurrent density in SFBs and presents new optimization strategies for SFBs.
有限的光电转换效率是太阳能液流电池(SFB)商业化的关键制约因素之一。本研究比较了三种常用氧化还原偶的化学和光电化学特性。此外,还首次引入了磁性 Fe3O4 纳米粒子来优化电解液,并与原始电解液进行了比较。在不同的氧化还原偶中,半导体平带电位和载流子浓度的变化会导致光电流密度的变化。值得注意的是,FeCl2/FeCl3 氧化还原耦合 TiO2 光电电极表现出最高的光电流密度,达到 75.7 µA cm-2。然而,这种电解质需要权衡,即在提供高光电流的同时无法提供足够的开路电压,这就限制了 SFB 的实际应用。另外,TEMPO 和 4-OH-TEMPO 电解质可提供较高的开路电压,通过引入磁性纳米粒子形成磁性纳米流体,可增强电化学活性并降低溶液欧姆电阻。因此,在两种电解质中,光阳极的光电流密度分别增加了 36.6% 和 17.0%。本文报告的工作有效地解决了当前 SFB 光电流密度低的问题,并提出了 SFB 的新优化策略。
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引用次数: 0
Magnetic and Magnetoelectric Materials 磁性和磁电材料
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-01 DOI: 10.3390/magnetochemistry10020008
Devashibhai Adroja, Dmitry Filippov
Magnetic materials are an important class of materials for the development of technology as well as for our fundamental understanding of microscopic magnetic interactions [...]
磁性材料是一类重要的材料,不仅有助于技术的发展,还有助于我们从根本上了解微观磁相互作用 [...]
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引用次数: 0
Low-Frequency Dynamic Magnetic Fields Decrease Cellular Uptake of Magnetic Nanoparticles 低频动态磁场减少细胞对磁性纳米粒子的吸收
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-01 DOI: 10.3390/magnetochemistry10020009
A. Ivanova, Nelly S. Chmelyuk, A. Nikitin, Alexander G. Majouga, V. Chekhonin, M. Abakumov
Magnetic nanoparticles have gained attention as a potential structure for therapy and diagnosing oncological diseases. The key property of the magnetic nanoparticles is the ability to respond to an external magnetic field. It is known that magnetofection causes an increase in the cellular uptake of RNA and DNA in complexes with magnetic nanoparticles in the presence of a permanent magnetic field. However, the influence of a dynamic magnetic field on the internalization of MNPs is not clear. In this work, we propose the idea that applying external low-frequency dynamic magnetic fields may decrease the cellular uptake, such as macrophages and malignant neuroblastoma. Using fluorescence microscopy and atomic emission spectroscopy, we found that oscillating magnetic fields decreased the cellular uptake of magnetic nanoparticles compared to untreated cells by up to 46%. In SH-SY5Y tumor cells and macrophage RAW264.7 cells, the absolute values of Fe per cell differed by 0.10 pg/cell and 0.33 pg/cell between treated and untreated cells, respectively. These results can be applied in the control of the cellular uptake in different areas of biomedicine.
磁性纳米粒子作为一种治疗和诊断肿瘤疾病的潜在结构,已受到广泛关注。磁性纳米粒子的关键特性是对外部磁场的反应能力。众所周知,在永久磁场存在的情况下,磁感染会增加细胞对磁性纳米粒子复合物中 RNA 和 DNA 的吸收。然而,动态磁场对 MNPs 内化的影响尚不清楚。在这项工作中,我们提出了外部低频动态磁场可能会减少细胞摄取(如巨噬细胞和恶性神经母细胞瘤)的观点。我们利用荧光显微镜和原子发射光谱发现,与未经处理的细胞相比,振荡磁场可使细胞对磁性纳米粒子的吸收率降低达 46%。在 SH-SY5Y 肿瘤细胞和 RAW264.7 巨噬细胞中,处理过的细胞和未处理的细胞中每个细胞铁的绝对值分别相差 0.10 pg/cell 和 0.33 pg/cell。这些结果可用于控制生物医学不同领域的细胞吸收。
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引用次数: 0
On the Magnetization and Entanglement Plateaus in One-Dimensional Confined Molecular Magnets 论一维约束分子磁体中的磁化和纠缠高原
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-01 DOI: 10.3390/magnetochemistry10020010
Javier I. Norambuena Leiva, Emilio A. Cortés Estay, E. Suarez Morell, Juan M. Florez
One-dimensional (1D) magnetic systems offer rich phenomena in the quantum limit, proving more chemically accessible than zero-dimensional or higher-dimensional frameworks. Single-walled carbon nanotubes (SWCNT) have recently been used to encapsulate trimetric nickel(II) acetylacetonate [Nanoscale, 2019, 11, 10615–10621]. Here, we investigate the magnetization on spin chains based on nickel trimers by Matrix Product State (MPS) simulations. Our findings reveal plateaus in the exchange/magnetic-field phase diagram for three coupling configurations, showcasing effective dimeric and trimeric spin-ordering with similar or staggered entanglement across chains. These ordered states allow the qubit-like tuning of specific local magnetic moments, exhibiting disengagement or uniform coupling in entanglement plateaus. This behavior is consistent with the experimental transition from frustrated (3D) to non-frustrated (1D) molecules, corresponding to large and smaller SWCNT diameters. Our study offers insights into the potential of 1D-confined trimers for quantum computation, extending beyond the confinement of trimetric nickel-based molecules in one dimension.
一维(1D)磁性系统在量子极限中提供了丰富的现象,与零维或更高维的框架相比,在化学上更容易获得。最近,单壁碳纳米管(SWCNT)被用于封装三甲基乙酰丙酮镍(II)[Nanoscale, 2019, 11, 10615-10621]。在此,我们通过矩阵积态(MPS)模拟研究了基于镍三聚体的自旋链的磁化。我们的研究结果揭示了三种耦合配置的交换/磁场相图中的高原,展示了有效的二聚体和三聚体自旋有序化,以及链间相似或交错的纠缠。这些有序态允许对特定的局部磁矩进行类似于量子比特的调整,在纠缠高原上表现出脱离或均匀耦合。这种行为与实验中从受挫(三维)分子到非受挫(一维)分子的转变是一致的,与大和小的 SWCNT 直径相对应。我们的研究让人们深入了解了一维约束三聚体在量子计算方面的潜力,它超越了镍基三聚体分子在一维中的约束。
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引用次数: 0
On the Magnetization and Entanglement Plateaus in One-Dimensional Confined Molecular Magnets 论一维约束分子磁体中的磁化和纠缠高原
IF 2.7 4区 化学 Q2 Chemistry Pub Date : 2024-02-01 DOI: 10.3390/magnetochemistry10020010
Javier I. Norambuena Leiva, Emilio A. Cortés Estay, E. Suarez Morell, Juan M. Florez
One-dimensional (1D) magnetic systems offer rich phenomena in the quantum limit, proving more chemically accessible than zero-dimensional or higher-dimensional frameworks. Single-walled carbon nanotubes (SWCNT) have recently been used to encapsulate trimetric nickel(II) acetylacetonate [Nanoscale, 2019, 11, 10615–10621]. Here, we investigate the magnetization on spin chains based on nickel trimers by Matrix Product State (MPS) simulations. Our findings reveal plateaus in the exchange/magnetic-field phase diagram for three coupling configurations, showcasing effective dimeric and trimeric spin-ordering with similar or staggered entanglement across chains. These ordered states allow the qubit-like tuning of specific local magnetic moments, exhibiting disengagement or uniform coupling in entanglement plateaus. This behavior is consistent with the experimental transition from frustrated (3D) to non-frustrated (1D) molecules, corresponding to large and smaller SWCNT diameters. Our study offers insights into the potential of 1D-confined trimers for quantum computation, extending beyond the confinement of trimetric nickel-based molecules in one dimension.
一维(1D)磁性系统在量子极限中提供了丰富的现象,与零维或更高维的框架相比,在化学上更容易获得。最近,单壁碳纳米管(SWCNT)被用于封装三甲基乙酰丙酮镍(II)[Nanoscale, 2019, 11, 10615-10621]。在此,我们通过矩阵积态(MPS)模拟研究了基于镍三聚体的自旋链的磁化。我们的研究结果揭示了三种耦合配置的交换/磁场相图中的高原,展示了有效的二聚体和三聚体自旋有序化,以及链间相似或交错的纠缠。这些有序态允许对特定的局部磁矩进行类似于量子比特的调整,在纠缠高原上表现出脱离或均匀耦合。这种行为与实验中从受挫(三维)分子到非受挫(一维)分子的转变是一致的,与大和小的 SWCNT 直径相对应。我们的研究让人们深入了解了一维约束三聚体在量子计算方面的潜力,它超越了镍基三聚体分子在一维中的约束。
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引用次数: 0
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Magnetochemistry
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