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Magnetochemistry
Volume 12
Issue 2
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Magnetochemistry, Volume 12, Issue 2 (February 2026) – 12 articles

Cover Story (view full-size image): The magnetism of lanthanide-based single-molecule magnets is greatly challenging to elucidate, as up to 27 ligand-field parameters need to be inferred from feature-poor experimental data. Machine learning (ML) has shown potential in addressing this challenge. This work first discusses the perspectives of ML approaches to data analysis before presenting a model that combines a variational autoencoder with an invertible neural network to predict ligand field parameters from magnetic susceptibility data. By incorporating common experimental errors through data augmentation, the ML model achieves robust and accurate recovery of the D and E magnetic anisotropy parameters, bringing ML-based analysis closer to routine experimental application. View this paper
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10 pages, 3784 KB  
Article
Energetic Analysis During the Magnetization Reversal Process of a Hollow Fe Nano-Sphere by Micromagnetic Simulations
by Mauricio Galvis, Fredy Mesa and César Leandro Londoño-Calderón
Magnetochemistry 2026, 12(2), 27; https://doi.org/10.3390/magnetochemistry12020027 - 22 Feb 2026
Viewed by 387
Abstract
This work presents a detailed micromagnetic analysis of the magnetization reversal process in hollow iron nanospheres with a shell thickness of 16 nm. Using the Ubermag computational framework coupled to the OOMMF, we demonstrate that these nanospheres exhibit high coercivity and remanence, producing [...] Read more.
This work presents a detailed micromagnetic analysis of the magnetization reversal process in hollow iron nanospheres with a shell thickness of 16 nm. Using the Ubermag computational framework coupled to the OOMMF, we demonstrate that these nanospheres exhibit high coercivity and remanence, producing elongated hysteresis loops, consistently with previous experimental findings. The reversal process is governed by the nucleation and evolution of non-collinear magnetic domains and domain walls, as revealed by magnetization mapping. A comprehensive energetic evaluation indicates a dynamic competition among anisotropy, exchange, Zeeman, and demagnetizing energies, with the latter exerting a dominant influence on the final magnetic configuration. These results enhance our understanding of the magnetic behavior in hollow nanostructures and provide a theoretical foundation for their application in spintronic and biomedical systems. Full article
(This article belongs to the Section Applications of Magnetism and Magnetic Materials)
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16 pages, 3606 KB  
Article
Synergistic Effect of Fe Doping and Oxygen Vacancies on the Optical Properties and CO2 Reduction Mechanism of Bi4O5Br2
by Gaihui Liu, Xie Huang, Shuaishuai Liu, Xiangzhou Yan, Nan Dong, Huihui Shi, Fuchun Zhang and Suqin Xue
Magnetochemistry 2026, 12(2), 26; https://doi.org/10.3390/magnetochemistry12020026 - 11 Feb 2026
Viewed by 411
Abstract
In this study, the synergistic effects of Fe doping and oxygen vacancies on the structural, electronic, and optical properties of Bi4O5Br2, as well as their influence on the photocatalytic CO2 reduction mechanism, were systematically explored through [...] Read more.
In this study, the synergistic effects of Fe doping and oxygen vacancies on the structural, electronic, and optical properties of Bi4O5Br2, as well as their influence on the photocatalytic CO2 reduction mechanism, were systematically explored through first-principles calculations. The results reveal that Fe-doped, oxygen-defective, and Fe–Vo co-modified Bi4O5Br2 systems exhibit excellent thermodynamic and dynamic stability. Oxygen vacancies introduce defect states near the Fermi level, narrowing the band gap and enhancing charge localization and CO2 adsorption, while Fe doping induces strong spin polarization and introduces Fe 3d impurity levels that effectively couple with O 2p orbitals, promoting charge transfer and visible-light absorption. The coexistence of Fe dopants and oxygen vacancies produces a significant synergistic effect, forming a continuous energy-level bridge that enhances charge separation and broadens the light absorption range. Gibbs free energy analyses further demonstrate that the Fe–Vo–BOB system exhibits the lowest energy barriers and the most favorable thermodynamics for CO2-to-CO conversion. This study provides deep insight into the defect–dopant synergy in Bi4O5Br2 and offers valuable theoretical guidance for engineering highly efficient visible-light-driven photocatalysts in solar energy conversion and environmental remediation. Full article
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5 pages, 593 KB  
Editorial
Molecular Magnetism: A Themed Issue in Honor of Professor Dai-Zheng Liao on the Occasion of His 85th Birthday
by Peng Cheng, You Song, Hui-Zhong Kou and Jinkui Tang
Magnetochemistry 2026, 12(2), 25; https://doi.org/10.3390/magnetochemistry12020025 - 10 Feb 2026
Viewed by 382
Abstract
This Special Issue of Magnetochemistry is dedicated to Professor Dai-Zheng Liao on the occasion of his 85th birthday [...] Full article
(This article belongs to the Special Issue Molecular Magnetism: A Themed Issue in Honor of Professor Dai-Zheng Liao on the Occasion of His 85th Birthday)
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11 pages, 6188 KB  
Article
Effect of Er Substitution on Magnetic and Magnetocaloric Properties of Nd60Ni40 Metallic Glass
by Nuo Cheng, Song-Tao Yang, Ding Ding and Lei Xia
Magnetochemistry 2026, 12(2), 24; https://doi.org/10.3390/magnetochemistry12020024 - 8 Feb 2026
Viewed by 370
Abstract
In the present work, we selected an amorphous Nd60Ni40 alloy as a basic alloy and added Er with a higher effective magnetic moment and de Gennes factor to replace Nd for the purpose of improving the magnetocaloric performance of the [...] Read more.
In the present work, we selected an amorphous Nd60Ni40 alloy as a basic alloy and added Er with a higher effective magnetic moment and de Gennes factor to replace Nd for the purpose of improving the magnetocaloric performance of the Nd60Ni40 amorphous alloy. The formability, magnetization, and magnetocaloric behaviors of the Nd60-xErxNi40 (x = 5, 10, 15, 20) amorphous alloys were studied. It was found that Er substitution generally improved the glass formability, but simultaneously decreased the Curie temperature, coercivity, and magnetic entropy change peak of the basic alloy. The mechanism for these unexpected results was investigated, and it was supposed that the decreased Curie temperature and the deteriorated magnetocaloric properties may have resulted from the antiferromagnetic coupling between the Nd and Er atoms. Full article
(This article belongs to the Section Magnetic Materials)
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18 pages, 2165 KB  
Article
Magnetically Recoverable Fe3O4@Latex Decorated with ZnO Nanocomposite for Efficient Photocatalytic Treatment of Sugarcane Vinasse
by Lays da Silva Sá Gomes, Daniel Ângelo Macena, Maryane Pipino Beraldo Almeida, Naiara Maria Pavani, Iara Souza Lima, Aroldo Geraldo Magdalena, Oswaldo Baffa and Angela Kinoshita
Magnetochemistry 2026, 12(2), 23; https://doi.org/10.3390/magnetochemistry12020023 - 6 Feb 2026
Viewed by 484
Abstract
Sugarcane vinasse is a high-strength effluent with a high organic load and intense coloration from melanoidins and phenolic compounds, making conventional biological treatment difficult. This study presents a magnetically recoverable Fe3O4@latex-ZnO nanocomposite, synthesized using natural Hevea brasiliensis latex as [...] Read more.
Sugarcane vinasse is a high-strength effluent with a high organic load and intense coloration from melanoidins and phenolic compounds, making conventional biological treatment difficult. This study presents a magnetically recoverable Fe3O4@latex-ZnO nanocomposite, synthesized using natural Hevea brasiliensis latex as a green polymeric interlayer. Transmission Electron Microscopy (TEM) shows a core–shell structure that enhances ZnO anchoring and reduces aggregation. X-ray Diffraction (XRD) confirms the coexistence of spinel Fe3O4 and wurtzite ZnO without secondary phases, while Fourier Transformed Infrared Spectroscopy (FTIR) verifies the latex layer through characteristic organic bands, indicating a stable organic–inorganic interface. Under 4 h of UV irradiation, the nanocomposite significantly reduced vinasse COD from 23,450 to 12,450–13,150 mg L−1 (≈44–47%) and BOD from 11,600 to 4800–5000 mg L−1 (≈57–59%), demonstrating substantial oxidation of the organic fraction. The magnetic core enables quick separation post-treatment, enhancing the practicality of the process. Overall, this innovative approach positions the ZnO nanocomposite as a promising option for vinasse pre-treatment and integrated agro-industrial effluent treatment. Full article
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26 pages, 5501 KB  
Review
Ligand-Induced Self-Assembly of Clusters by Pyridine–Amine–Carboxylate Frameworks of 3D Transition Metals: Structural and Magnetic Aspects
by Amit Rajput, Akram Ali, Himanshu Arora and Akhilesh Kumar
Magnetochemistry 2026, 12(2), 22; https://doi.org/10.3390/magnetochemistry12020022 - 4 Feb 2026
Viewed by 1470
Abstract
The ligand-driven self-assembly of metal clusters offers a powerful strategy for constructing discrete molecular architectures with tunable magnetic and structural properties. By judiciously selecting appropriate multidentate ligands, researchers can direct the formation of polynuclear metal assemblies with diverse nuclearities, geometries, and topologies. Coordination-driven [...] Read more.
The ligand-driven self-assembly of metal clusters offers a powerful strategy for constructing discrete molecular architectures with tunable magnetic and structural properties. By judiciously selecting appropriate multidentate ligands, researchers can direct the formation of polynuclear metal assemblies with diverse nuclearities, geometries, and topologies. Coordination-driven processes commonly stabilize such assemblies where multidentate ligands operate as templates and linkers. These will also determine how the metal centers are arranged in space and how they connect to each other. These clusters can take on shapes that range from basic bridging dimers to more complicated icosahedral and cubane-type motifs. They often have excellent symmetry and strong frameworks. Magnetically, these clusters are a great place to study exchange interactions, spin frustration, and the behavior of single-molecule magnets (SMMs). The magnetic characteristics depend on things like the type of metal ions, the bridging ligands, the overall shape, and the local coordination environment. Interestingly, a large number of ligand-assembled clusters exhibit high spin ground states and slow magnetization relaxation, which makes them attractive options for quantum information storage and molecular spintronic devices. This review connects coordination chemistry, supramolecular design, and molecular magnetism of pyridine–amine–carboxylate frameworks, offering insights into fundamental magnetic phenomena and guiding the development of next-generation functional materials. Continued exploration of ligand frameworks and metal combinations holds the potential to yield novel clusters with enhanced or unprecedented magnetic characteristics. Full article
(This article belongs to the Special Issue Stimuli-Responsive Magnetic Molecular Materials—2nd Edition)
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34 pages, 2311 KB  
Review
Iron Oxide Nanoparticles Enabled Ultrasound-Guided Theranostic Systems
by Thiago Tiburcio Vicente, Prabu Periyathambi, Ariane Franson Sanches, Marina Yuki Azevedo Nakakubo, Nicholas Zufelato, Karina Bezerra Salomão, María Sol Brassesco, Theo Zeferino Pavan, Koiti Araki and Antônio A. O. Carneiro
Magnetochemistry 2026, 12(2), 21; https://doi.org/10.3390/magnetochemistry12020021 - 3 Feb 2026
Viewed by 1259
Abstract
The tumor microenvironment, characterized by higher acidity, hypoxia, and dense cellular structures, plays a pivotal role in cancer progression, therapeutic resistance, and treatment response. Nanoparticle-based contrast agents enable the precise delineation of solid regions within heterogeneous tumors through advanced molecular imaging techniques. Since [...] Read more.
The tumor microenvironment, characterized by higher acidity, hypoxia, and dense cellular structures, plays a pivotal role in cancer progression, therapeutic resistance, and treatment response. Nanoparticle-based contrast agents enable the precise delineation of solid regions within heterogeneous tumors through advanced molecular imaging techniques. Since 1956, ultrasound (US) medical imaging has provided essential anatomical and functional insights about internal organs. More recently, magnetomotive ultrasound (MMUS) has emerged as a promising imaging modality, using a modulated magnetic field to exert force on superparamagnetic iron oxide nanoparticles (SPIONs), inducing motion in the surrounding tissues through mechanical coupling. In parallel, magnetic hyperthermia (MH), which employs localized heating by alternating magnetic fields, has demonstrated significant potential in selectively destroying cancer cells while sparing healthy tissues. This review summarizes the current state of IONP-based contrast agents, with particular emphasis on their use in MH for cancer treatment, as well as their potential in multimodal imaging, including MMUS, and photoacoustic (PA) imaging. The advantages and limitations of IONPs in tumor detection and characterization are discussed, examining the development of surface-functionalized MNPs, and analyzing how material properties and environmental factors affect their diagnostic and therapeutical performance. Finally, strategies for combining MMUS and PA modalities for pre-clinical cancer imaging are proposed. Full article
(This article belongs to the Special Issue Magnetic Nano- and Microparticles in Biotechnology)
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22 pages, 5511 KB  
Article
Study on Some Factors That Influence the Yield Stress in Kerosene-Based Magnetic Fluids Using an Orthogonal Experimental Design
by Miaotian Zhang, Licong Jin and Yu Feng
Magnetochemistry 2026, 12(2), 20; https://doi.org/10.3390/magnetochemistry12020020 - 2 Feb 2026
Viewed by 433
Abstract
Magnetic fluid sealing is a novel sealing technology wherein magnetic fluids play a pivotal role in the sealing process. The yield stress of the magnetic fluid directly affectsits sealing performance and is governed by multiple interdependent factors. Conventional approaches that evaluate the effect [...] Read more.
Magnetic fluid sealing is a novel sealing technology wherein magnetic fluids play a pivotal role in the sealing process. The yield stress of the magnetic fluid directly affectsits sealing performance and is governed by multiple interdependent factors. Conventional approaches that evaluate the effect of a single parameter while keeping other parameters constant are insufficient to fully characterize the relative contributions of each parameter to the yield stress. In this study, we investigate the preparation factors affecting the yield stress of kerosene-based magnetic fluids and propose a parameter sensitivity analysis method based on orthogonal experimental design to determine the optimal combination of factor levels within the studied range. The sensitivity of key preparation factors affecting the yield stress of kerosene-based magnetic fluids was determined via range and variance analyses of the orthogonal experimental data. The factors, ranked in descending order of sensitivity, were surfactant (C18H34O2) dosage, precipitant (NH3·H2O) dosage, and deionized water (H2O) volume. Moreover, the effects of different levels of the same factor were analyzed using multiple approaches. These findings provide a theoretical foundation for optimizing the preparation of magnetic fluids and enhancing their sealing performance. Full article
(This article belongs to the Special Issue Ferrofluids: Electromagnetic Properties and Applications)
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24 pages, 2544 KB  
Article
Perspectives of Machine Learning for Ligand-Field Analyses in Lanthanide-Based Single Molecule Magnets
by Zayan Ahsan Ali, Preeti Tewatia and Oliver Waldmann
Magnetochemistry 2026, 12(2), 19; https://doi.org/10.3390/magnetochemistry12020019 - 2 Feb 2026
Viewed by 596
Abstract
Lanthanide-based single-molecule magnets are promising candidates for potential applications. Their magnetism is governed by ligand-field splittings, which may require up to 27 ligand-field parameters for accurate modeling. Determining these parameters reliably from measured data is a major challenge, for which machine learning approaches [...] Read more.
Lanthanide-based single-molecule magnets are promising candidates for potential applications. Their magnetism is governed by ligand-field splittings, which may require up to 27 ligand-field parameters for accurate modeling. Determining these parameters reliably from measured data is a major challenge, for which machine learning approaches offer promising solutions. We provide an overview of these approaches and present our perspective on addressing the inverse problem relating experimental data to ligand-field parameters. Previously, a machine learning architecture combining a variational autoencoder (VAE) and an invertible neural network (INN) showed promise for analyzing temperature-dependent magnetic susceptibility data. In this work, the VAE-INN model is extended through data augmentation to enhance its tolerance to common experimental inaccuracies. Focusing on second-order ligand-field parameters, diamagnetic and molar-mass errors are incorporated by augmenting the training dataset with experimentally motivated error distributions. Tests on simulated experimental susceptibility curves demonstrate substantially improved prediction accuracy and robustness when the distributions correspond to realistic error ranges. When applied to the experimental susceptibility curve of the complex Al2IIIEr2III, the augmented VAE–INN recovers ligand-field solutions consistent with least-squares benchmarks. The proposed data augmentation thus overcomes a key limitation, bringing the ML approach closer to practical use for higher-order ligand-field parameters. Full article
(This article belongs to the Special Issue Magnetic Nanoscale Materials and Exotic Spin Structures: A 65th Birthday Gift to Annie K. Powell)
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11 pages, 2474 KB  
Article
Properties Comparison of Fe3O4 Particles with Different Morphologies as Mimetic Enzyme
by Xiaoying Li, Li Wei, Lianqi Li, Junying Suo, Shuai Li and Honggang Jiang
Magnetochemistry 2026, 12(2), 18; https://doi.org/10.3390/magnetochemistry12020018 - 2 Feb 2026
Viewed by 426
Abstract
In this work, four different magnetic Fe3O4 nanoparticles are prepared via solvothermal method. According to the morphology, the products can be divided into flower-like Fe3O4 (F-Fe3O4), solid spherical Fe3O4 (S-Fe [...] Read more.
In this work, four different magnetic Fe3O4 nanoparticles are prepared via solvothermal method. According to the morphology, the products can be divided into flower-like Fe3O4 (F-Fe3O4), solid spherical Fe3O4 (S-Fe3O4), hollow spherical Fe3O4 (HO-Fe3O4), and hexahedral Fe3O4 (HE-Fe3O4). A set of measurements is performed to confirm the structure, composition, and pore properties of the obtained materials. The catalytic activities of the prepared materials are examined and compared. The results prove that the four materials have an intrinsic catalytic property. HO-Fe3O4 ranks first in the catalytic activity mainly due to its large surface area and reasonable element composition. The maximum specific saturation magnetization and specific surface area of HO-Fe3O4 are 72.94 emu/g and 42.60 m2/g. Fe2+/Fe3+ in HO-Fe3O4 is 51.5%. It is found that HO-Fe3O4 possesses fantastic stability and perfect reproducibility as it is used as a catalyst several times without significant loss in its activity. Full article
(This article belongs to the Special Issue Magnetic Materials and Composites: Synthesis, Properties, and Applications)
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18 pages, 5858 KB  
Article
Improved Wide-Temperature-Range Magnetocaloric Properties of (Mn,Fe)2(P,Si) Alloys by Mg-Co Co-Doping
by Jimei Niu, Zhigang Zheng and Hongyu Wang
Magnetochemistry 2026, 12(2), 17; https://doi.org/10.3390/magnetochemistry12020017 - 2 Feb 2026
Viewed by 552
Abstract
To enhance the wide-temperature-range magnetocaloric performance of (Mn,Fe)2(P,Si) alloys, the effects of Mg-Co co-doping on their structural and magnetocaloric properties were systematically investigated. Mn1.05−yCoyFe0.9P0.5Si0.48Mg0.02 alloys were prepared by the [...] Read more.
To enhance the wide-temperature-range magnetocaloric performance of (Mn,Fe)2(P,Si) alloys, the effects of Mg-Co co-doping on their structural and magnetocaloric properties were systematically investigated. Mn1.05−yCoyFe0.9P0.5Si0.48Mg0.02 alloys were prepared by the arc melting method. The results show that Mg-Co co-doping can tune the lattice parameters and ferromagnetic coupling between Mn and Fe atoms. The Mn1.03Co0.02Fe0.9P0.5Si0.48Mg0.02 alloy exhibited an effective refrigeration capacity of 425.4 J·kg−1 and an effective working temperature span of 52 K. During the temperature-induced ferromagnetic transition, coupling between the magnetic moment of Fe-Si layers and the crystal lattice drives a magnetoelastic transition, leading to a giant magnetocaloric effect. The Mg-Co co-doping strategy effectively tunes the crystal structure and local electron density distribution of the Fe-Si layer, thereby influencing the total magnetic moment and magnetothermal properties of the alloys. Full article
(This article belongs to the Special Issue Advance of Magnetocaloric Effect and Materials)
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19 pages, 2848 KB  
Article
Development of a Cost-Effective Magnetic Microparticle Protocol for DNA Purification in Molecular Diagnosis of Gynecological Infections
by Carolina Otonelo, Carla Layana, Elisa de Sousa, Luciana Juncal, Melina D. Ibarra, Constanza Toledo, Alejo Melamed, Karen L. Salcedo Rodríguez, Patricia L. Schilardi, Lucia Poleri, Carlos Golijow, Sheila Ons, Pedro Mendoza Zélis and Claudia Rodríguez Torres
Magnetochemistry 2026, 12(2), 16; https://doi.org/10.3390/magnetochemistry12020016 - 27 Jan 2026
Viewed by 982
Abstract
In this work, we evaluate the efficiency of a DNA purification protocol from gynecological samples using locally synthesized Fe3O4@SiO2 magnetic microparticles and a low-cost, guanidinium thiocyanate (GITC)-free lysis buffer. The microparticles were characterized by SEM, EDS, FTIR, and [...] Read more.
In this work, we evaluate the efficiency of a DNA purification protocol from gynecological samples using locally synthesized Fe3O4@SiO2 magnetic microparticles and a low-cost, guanidinium thiocyanate (GITC)-free lysis buffer. The microparticles were characterized by SEM, EDS, FTIR, and magnetic measurements, confirming the formation of compact silica-coated aggregates with suitable magnetic responsiveness for rapid and complete capture. Using this material in combination with a simple, GITC-free lysis buffer, we achieved DNA extraction yields comparable to those obtained with standard methods based on chaotropic salts. The purified DNA showed high compatibility with molecular assays for the detection of Chlamydia trachomatis, Ureaplasma urealyticum, Mycoplasma hominis, and human papilloma virus. Clinical validation demonstrated excellent diagnostic performance, with only a few discrepancies observed in samples near the detection threshold of qPCR, a limitation shared with commercial kits. Overall, the method represents a low-cost, safe, and sustainable alternative for routine clinical and epidemiological applications, compared to methods based on chaotropic salt buffers. Furthermore, it reduces reliance on imported commercial consumables and minimizes the handling of hazardous reagents. Full article
(This article belongs to the Special Issue Magnetic Nano- and Microparticles in Biotechnology)
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