Magnetochemistry

13 pages, 3105 KB

Open AccessArticle

Predicting Pt-195 NMR Chemical Shift in Pt(II)-Sn(II) Complexes

by Milena A. Pereira, Larissa P. N. M. Pinto, Hélio F. Dos Santos and Diego F. S. Paschoal

Magnetochemistry 2026, 12(4), 49; https://doi.org/10.3390/magnetochemistry12040049 - 13 Apr 2026

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Platinum chemistry covers a wide range of applications, including homogeneous and heterogeneous catalysis as well as cancer therapy. Numerous Pt complexes have been synthesized and studied in recent years, with NMR spectroscopy serving as the primary technique for structural characterization. The ¹⁹⁵Pt [...] Read more.

Platinum chemistry covers a wide range of applications, including homogeneous and heterogeneous catalysis as well as cancer therapy. Numerous Pt complexes have been synthesized and studied in recent years, with NMR spectroscopy serving as the primary technique for structural characterization. The ¹⁹⁵Pt nucleus has favorable features for NMR studies, being highly sensitive to ligand type and structural environment. From a computational perspective, factors such as solvent effects, relativistic corrections, and the electronic structure of the ligands strongly influence the calculated NMR parameters. Consequently, establishing a general computational protocol for ¹⁹⁵Pt NMR prediction remains a challenging task. In this work, we present a systematic validation and extension of our previously developed computational protocol, originally proposed for Pt(II) complexes, in studying ¹⁹⁵Pt NMR chemical shifts in Pt(II)-Sn(II) complexes. A benchmark set of 100 Pt(II)-Sn(II) complexes was analyzed, yielding good agreement with experimental data (R² = 0.86, MRD = 3.6%, MAD = 163 ppm), which is remarkable given the structural diversity and broad range of chemical shifts covered. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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15 pages, 2320 KB

Open AccessArticle

Electromagnetic Control of Ferromagnetic Particle Movement Using PID and PWM

by Jesús Alexis Salcedo Muciño, Juan Alejandro Flores Campos, Adolfo Angel Casares Duran, Juan Carlos Paredes Rojas, José Juan Mojica Martínez and Christopher René Torres-SanMiguel

Magnetochemistry 2026, 12(4), 48; https://doi.org/10.3390/magnetochemistry12040048 - 10 Apr 2026

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Abstract

In this article, the motion control of ferromagnetic particles through varying a non-invasive magnetic field is addressed. Within an experimental test bench, three experiments are proposed to verify motion control, which consist of control of the distance between electromagnets, retention of particles over [...] Read more.

In this article, the motion control of ferromagnetic particles through varying a non-invasive magnetic field is addressed. Within an experimental test bench, three experiments are proposed to verify motion control, which consist of control of the distance between electromagnets, retention of particles over the flow, and manipulation of the direction of particle flow at a “Y”-type bifurcation emulating an “OR” gate. At each experimental stage, instrumented test benches were integrated with current, distance, and flow sensors, enabling measurement and feedback of the system’s physical variables. These benches were configured using pulse-width-modulation (PWM) and Proportional–Integral–Derivative (PID) controllers to regulate the current supplied to the electromagnets and, thereby, control the intensity of the induced electromagnetic field according to the requirements of each experiment. Different study cases were defined to analyze the operational limits of the system by varying the current influencing the electromagnetic field and the configuration of the electromagnets. The results describe the response of the magnetic field, the induced force, and the behavior of the suspended particles under each condition, providing elements to characterize the performance of the electromagnetic system in operational scenarios and contributing to the understanding of the phenomena associated with the non-invasive manipulation of ferromagnetic particles by means of controlled magnetic fields. Full article

(This article belongs to the Topic Magnetic Nanoparticles and Thin Films)

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39 pages, 7931 KB

Open AccessArticle

First-Principles Insights into Cr- and Mn-Doped Rocksalt ScN: Engineering Structural Stability and Magnetism

by Ahmad M. Alsaad

Magnetochemistry 2026, 12(4), 47; https://doi.org/10.3390/magnetochemistry12040047 - 7 Apr 2026

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Abstract

The study presents a comprehensive first-principles investigation of the structural, electronic, and magnetic properties of rocksalt scandium nitride (ScN) and its Cr- and Mn-doped derivatives using spin-polarized density-functional theory within the GGA + U (U_Cr = 3.5 eV, U_Mn = 2.7 [...] Read more.

The study presents a comprehensive first-principles investigation of the structural, electronic, and magnetic properties of rocksalt scandium nitride (ScN) and its Cr- and Mn-doped derivatives using spin-polarized density-functional theory within the GGA + U (U_Cr = 3.5 eV, U_Mn = 2.7 eV) and HSE06 frameworks. Pristine ScN crystallizes in the cubic Fm

\bar{3}

m structure and exhibits narrow-gap semiconducting behavior, with an indirect band gap of 0.82 eV obtained from hybrid-functional calculations, in excellent agreement with reported theoretical values. Substitutional doping with Cr and Mn introduces localized 3d states near the Fermi level, driving a transition toward spin-polarized metallic or half-metallic behavior accompanied by robust ferromagnetism. Density-of-states and band-structure analyses reveal that magnetism and charge transport in the doped systems are dominated by exchange-split transition-metal 3d states hybridized with N-2p orbitals. Total energy calculations confirm ferromagnetic ground states for both Cr- and Mn-doped ScN, with Mn substitution yielding stronger exchange stabilization and higher magnetic moments. Magnetocrystalline anisotropy energies, evaluated using the force-theorem approach, are found to be negligibly small, indicating weak anisotropy consistent with the moderate spin–orbit coupling strength in ScN-based nitrides. Nevertheless, symmetry breaking around dopant sites gives rise to a finite Dzyaloshinskii–Moriya interaction, leading to weak spin canting and non-collinear magnetic tendencies. The interplay between magnetic exchange coupling, spin–orbit interaction, and local inversion symmetry breaking positions of Cr- and Mn-doped ScN as promising dilute magnetic semiconductors with tunable spin polarization and chiral magnetic interactions, offering a viable platform for nitride-based spintronic and magneto-electronic applications. Full article

(This article belongs to the Section Magnetic Materials)

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13 pages, 3249 KB

Open AccessArticle

Enhancing Magneto-Optical Performance in LaFeO₃ Thin Films via Cubic-Phase Transition Induced by Ce³⁺/Ti⁴⁺ Co-Doping

by Zhuoqian Xie, Chenjun Xu, Yunye Shi, Nanxi Lin and Qisheng Tu

Magnetochemistry 2026, 12(4), 46; https://doi.org/10.3390/magnetochemistry12040046 - 7 Apr 2026

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Abstract

Birefringence, arising from the low-symmetry structure in orthorhombic LaFeO₃, limits the observation and utilization of magneto-optical effects. In this study, the pure-phase perovskite-typed La₁₋_xCe_xFe₁₋_xTi_xO₃/SiO₂ thin films were successfully [...] Read more.

Birefringence, arising from the low-symmetry structure in orthorhombic LaFeO₃, limits the observation and utilization of magneto-optical effects. In this study, the pure-phase perovskite-typed La₁₋_xCe_xFe₁₋_xTi_xO₃/SiO₂ thin films were successfully fabricated via radio-frequency magnetron sputtering, where the co-doping of Ce³⁺ and Ti⁴⁺ ions effectively induced a structure transition from orthorhombic to a highly symmetric cubic phase, eliminating birefringence effect and thus reducing optical transmission loss. At the same time, the doped Ce³⁺ ions also effectively enhanced the magnetic and magneto-optical effects of the system due to their strong spin coupling effect and superexchange interaction with Fe³⁺ ions. The results show that the cubic-phase La_0.5Ce_0.5Fe_0.5Ti_0.5O₃/SiO₂ thin film exhibits excellent magnetic and magneto-optical performance. Their saturation magnetization reaches 180 emu/cm³ with an in-plane easy magnetic axis. And their magnetic circular dichroic ellipticity |ψ_F| reaches 3054 degrees/cm. Full article

(This article belongs to the Section Magnetic Materials)

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9 pages, 1404 KB

Open AccessArticle

Impact of O/S Substitution on Ligand Field and Single-Ion Magnetic Properties of Co(II) N₃⁻-Containing Octahedral Complexes

by Yan-Fang Wu, Zheng Huang, Jing Wei, Rong-Jie Hao, Jia-Ying Wang, Yan Peng, Ning Song, Zhao-Bo Hu, Yu-Hui Tan and Yun-Zhi Tang

Magnetochemistry 2026, 12(4), 45; https://doi.org/10.3390/magnetochemistry12040045 - 7 Apr 2026

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Abstract

Electronics evolution drives SMMs as a frontier, overcoming conventional magnetic material limits via molecular spin coupling. Two relevant Co(II) mononuclear complexes, [Co(MOP)₄(N₃)₂] (1) and [Co(MSP)₄(N₃)₂] (2) (MOP [...] Read more.

Electronics evolution drives SMMs as a frontier, overcoming conventional magnetic material limits via molecular spin coupling. Two relevant Co(II) mononuclear complexes, [Co(MOP)₄(N₃)₂] (1) and [Co(MSP)₄(N₃)₂] (2) (MOP = 4-methoxypridine and MSP = 4-methylthiopyridine) were synthesized through changing the substituents of ligands. The Co(II) ions in the two complexes show octahedron coordination geometries. The replacement of the O to S in the equatorial plane leads to different Jahn–Teller effect because of the shorter Co(II)-N in the equatorial plane, resulting in the significantly different slow relaxation process confirmed by ab initio calculation. The results confirm the Co(II) ion is sensitive to ligand field. Full article

(This article belongs to the Section Molecular Magnetism)

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9 pages, 23038 KB

Open AccessArticle

Effect of Cu Element Addition on Soft Magnetic Properties of Fe-Gd-B Alloys

by Linli Wang, Yongchun Liang, Feng Huang, Yingchao Yue and Xiaoyu Luo

Magnetochemistry 2026, 12(4), 44; https://doi.org/10.3390/magnetochemistry12040044 - 2 Apr 2026

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Abstract

In order to conduct a systematic study on the influence of the copper element on the soft magnetic properties of alloys, a series of alloy ribbons with compositions of Fe_90.70−xGd_2.32B_6.98Cu_x (x = 0.25, 0.5, [...] Read more.

In order to conduct a systematic study on the influence of the copper element on the soft magnetic properties of alloys, a series of alloy ribbons with compositions of Fe_90.70−xGd_2.32B_6.98Cu_x (x = 0.25, 0.5, 0.75, 1.0, 1.25, and 1.5) were fabricated via the single-roller melt-spinning method. The microstructure and magnetic properties of these ribbons were systematically characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), and vibrating sample magnetometry (VSM). The research findings indicate that the introduction of the copper element significantly enhances the soft magnetic properties of the alloys. For the alloy ribbon with the optimized composition of Fe_89.95Gd_3.32B_6.98Cu_0.75, the saturation magnetization (B_s) attains 1.74 T. The improvement in performance is primarily attributed to the precipitation of the nanocrystalline α-Fe phase. This phase features fine grain sizes and relatively wide magnetic domain structures, which contribute to an increase in the saturation magnetization and a reduction in the coercivity, thus comprehensively optimizing the soft magnetic properties of the alloys. Full article

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13 pages, 2699 KB

Open AccessArticle

Tailoring Microstructure Orientation and Magnetic Properties in AlNiCo Permanent Magnets by Controlled Withdrawal Rate in High-Rate Solidification

by Qilong Wu, Zhuo Sun, Anjian Pan, Huidong Qian, Yixing Li, Jinkui Fan, Jiantao Feng, Lizhong Zhao, Zhongwu Liu and Xuefeng Zhang

Magnetochemistry 2026, 12(4), 43; https://doi.org/10.3390/magnetochemistry12040043 - 2 Apr 2026

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Abstract

Enhancing grain orientation along the <001> crystal axis in AlNiCo alloys is crucial for developing high-performance permanent magnets. Traditional directional solidification, known as the “cold plate-hot mold” method, is constrained by a low thermal gradient, leading to inadequate microstructural uniformity and crystallographic alignment, [...] Read more.

Enhancing grain orientation along the <001> crystal axis in AlNiCo alloys is crucial for developing high-performance permanent magnets. Traditional directional solidification, known as the “cold plate-hot mold” method, is constrained by a low thermal gradient, leading to inadequate microstructural uniformity and crystallographic alignment, which impedes the optimization of magnetic properties. In this study, we employed a high-speed solidification process with an enhanced cooling gradient to fabricate AlNiCo magnets at various withdrawal rates. The variation in drawing rate influenced grain orientation within the alloy, thereby altering the degree of alignment of the ferromagnetic α1 phase following subsequent heat treatment, which ultimately affected the magnetic properties. The optimal magnetic performance was attained at a withdrawal rate of 50 μm/s, where the sample exhibited the most favorable oriented microstructure, with a remanence (B_r) of 10.62 kGs, intrinsic coercivity (H_cj) of 1.794 kOe, and a maximum energy product (BH)_max of 10.93 MGOe. Moreover, magnets at different positions exhibit excellent consistency in magnetic properties, enhancing the material utilization efficiency. This research provides valuable process parameters and a foundational basis for developing high-performance AlNiCo alloys. Full article

(This article belongs to the Section Magnetic Materials)

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16 pages, 4461 KB

Open AccessArticle

The Influence of Tooth Shape on Pressure Transmission Capacity in Magnetic Fluid Sealing

by Jiahao Dong, Hao Lu, Zhenfei Shen and Zhenkun Li

Magnetochemistry 2026, 12(4), 42; https://doi.org/10.3390/magnetochemistry12040042 - 2 Apr 2026

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Abstract

Magnetic fluid sealing is an ideal solution for high-end equipment. However, traditional rectangular pole teeth suffer from low magnetic flux utilization and insufficient pressure resistance. Meanwhile, the pressure transmission mechanism of different pole teeth and the evolution law of magnetic fluid boundary morphology [...] Read more.

Magnetic fluid sealing is an ideal solution for high-end equipment. However, traditional rectangular pole teeth suffer from low magnetic flux utilization and insufficient pressure resistance. Meanwhile, the pressure transmission mechanism of different pole teeth and the evolution law of magnetic fluid boundary morphology remain unclear, restricting structural optimization. This study investigates rectangular and trapezoidal pole teeth by adopting the Volume of Fluid model, combined with finite element simulation and experimental verification. A sealing simulation model and a dedicated experimental platform were established to systematically explore the effects of the two pole tooth types on pressure transmission efficiency and magnetic fluid boundary morphology under static and dynamic sealing conditions, as well as their pressure resistance and self-recovery characteristics. Results show that trapezoidal pole teeth exhibit superior pressure resistance to rectangular ones due to optimized magnetic field distribution: the maximum static sealing pressure resistance increases by 40.9 kPa, and the dynamic sealing pressure resistance at 8000 rpm rises by 63.2 kPa. The 2% deviation between simulation and experimental data verifies the model’s reliability. This work clarifies the intrinsic relationship between pole tooth structure and sealing performance, reveals the pressure transmission mechanism of different pole teeth, and provides theoretical and engineering references for pole tooth structural optimization, which is significant for improving the pressure resistance stability and engineering applicability of magnetic fluid sealing. Full article

(This article belongs to the Special Issue Ferrofluids: Electromagnetic Properties and Applications)

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10 pages, 2889 KB

Open AccessArticle

Nanocolumnar ZnO/Fe Magnetic Composites

by Andreas Kaidatzis, María Garrido-Segovia, José Miguel García-Martín, Nikolaos C. Diamantopoulos, Dimitrios-Panagiotis Theodoropoulos and Panagiotis Poulopoulos

Magnetochemistry 2026, 12(4), 41; https://doi.org/10.3390/magnetochemistry12040041 - 1 Apr 2026

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Abstract

Composite ZnO/Fe nanostructured thin films are synthesized via physical vapor deposition using radio frequency magnetron sputtering in conventional, as well as in glancing angle deposition (GLAD) geometries. ZnO is employed as a compact nanocolumnar template to direct Fe growth in bilayer and multilayer [...] Read more.

Composite ZnO/Fe nanostructured thin films are synthesized via physical vapor deposition using radio frequency magnetron sputtering in conventional, as well as in glancing angle deposition (GLAD) geometries. ZnO is employed as a compact nanocolumnar template to direct Fe growth in bilayer and multilayer architectures. Morphological analysis reveals well-defined ZnO/Fe interfaces for normal deposition geometry, with diminished interface clarity and reduced layer thickness in GLAD samples. Crystallographic characterization indicates clear ZnO-{002} and α-Fe-{110} texture. Magnetostatic characterization investigates the effects of morphology on coercivity and domain nucleation. GLAD-deposited Fe films exhibit clear in-plane magnetic anisotropy, with remanence to saturation magnetization (M_REM/M_SAT) equal to 1 for the easy axis and equal to 0.24 for the hard axis, consistent with inclined nanocolumn morphology. Our findings show that deposition geometry, rather the ZnO template, mostly affects the morphology of Fe films. The above, highlight the potential of engineered ZnO/Fe nanocomposites for magnetic, spintronic, and magnetoplasmonic applications, by tuning morphology and interface quality through deposition parameters. Full article

(This article belongs to the Section Magnetic Materials)

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23 pages, 3243 KB

Open AccessArticle

Magnetic Drug Targeting Under Pulsatile Flow: A Safety-Constrained Framework for Deposition and Retention Stability

by Sandor I. Bernad and Elena S. Bernad

Magnetochemistry 2026, 12(4), 40; https://doi.org/10.3390/magnetochemistry12040040 - 1 Apr 2026

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Abstract

Magnetic drug targeting (MDT) is commonly evaluated by peak accumulation at the target site. Under pulsatile flow, however, initial deposition does not predict sustained localisation. We introduce the Magnetic Targeting Optimisation Concept (M-TOC), a safety-constrained framework that restructures MDT evaluation by separating geometric [...] Read more.

Magnetic drug targeting (MDT) is commonly evaluated by peak accumulation at the target site. Under pulsatile flow, however, initial deposition does not predict sustained localisation. We introduce the Magnetic Targeting Optimisation Concept (M-TOC), a safety-constrained framework that restructures MDT evaluation by separating geometric deposition from retention stability and embedding both within a defined hemodynamic safety window. Deposition (D) was quantified by using obstruction degree at the injection end, OD(T0), and restricted by a structural admissibility limit (OD_max = 40%). Retention stability (R) was quantified using early washout at T0 + 30 s and an apparent half-life (τ_1/2) derived from coverage decay under controlled pulsatile washout. These descriptors were integrated into a Unified Targeting Score (UTS), applied only within the admissible domain, thereby enforcing feasibility before optimisation. Three PEG-functionalised magnetoresponsive nanocluster formulations were evaluated under identical magnetic and flow conditions. D–R mapping identified distinct operating regimes and showed that no tested configuration simultaneously achieved admissible deposition and robust pulsatile stability. By formalising MDT as a constrained multi-objective problem, M-TOC provides an objective method for regime discrimination and a transferable design principle for stability-guided targeting under physiological flow. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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17 pages, 3412 KB

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Study on the Influence of Magnetic Fluid Insulation on the Sealing Performance of Upper Guide Bearing of Hydro-Generator

by Mao Liao, Zhenggui Li, Zhaoqiang Yan, Chuanjun Han, Wei Tai, Xin Chen and Yu Zheng

Magnetochemistry 2026, 12(4), 39; https://doi.org/10.3390/magnetochemistry12040039 - 25 Mar 2026

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Abstract

This study focuses on the reliability issue of magnetic fluid (MF) in the magnetic fluid sealing technology for the upper guide bearing (UGB) of hydro-generators and proposes selection schemes for MF suitable for different models of hydro-generators. By analyzing the performance indicators of [...] Read more.

This study focuses on the reliability issue of magnetic fluid (MF) in the magnetic fluid sealing technology for the upper guide bearing (UGB) of hydro-generators and proposes selection schemes for MF suitable for different models of hydro-generators. By analyzing the performance indicators of five base fluids and MFs, including the acid value, flash point, oxidation stability, magnetorheological performance, breakdown voltage, dielectric loss factor and volume resistivity, the influencing factors of the insulating performance of MFs and their mechanism in sealing the UGBs of hydro-generators are investigated. The results show that, when the spindle speed is below 27 rpm, the viscosity of the MF is dominated by the magnetic field strength, while, when the speed exceeds 27 rpm, the viscosity of the MF is dominated by the shear rate. In addition, the addition of magnetic nanoparticles (MNPs) causes the breakdown voltage of the base carrier liquid to fluctuate in the range of 31.2–55.9 kV, the dielectric loss factor to fluctuate in the range of 2.5 × 10⁻⁴–6.7 × 10⁻³, and the volume resistivity to fluctuate in the range of 2.8 × 10¹¹–2.6 × 10¹² Ω·m. The research results provide a theoretical basis for the application of high-efficiency and stable magnetic fluid sealing technology. Full article

(This article belongs to the Special Issue Ferrofluids: Electromagnetic Properties and Applications)

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Magnetochemistry, Volume 12, Issue 4 (April 2026) – 11 articles

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