Functional Magnetic Materials Research Articles

Changes in resting-state functional connectivity of large-scale brain networks in bulimia nervosa: evidence from causal analysis.

Bulimia nervosa (BN) has been observationally linked to the functional connectivity (FC) of large-scale brain networks, but the biological mechanisms remain unclear. This study used two-sample Mendelian randomization (MR) with genetic variations as instrumental variables (IVs) to explore potential causal relationships between FC and BN. Summary data from genome-wide association studies (GWAS) involving 2,564 individuals were analyzed to identify genetically predicted BN. Functional magnetic resonance imaging parameters and materials were sourced from the UK Biobank. The variables underwent independent component analysis processing by the database to generate the final GWAS dataset. Various methods, including MR Pleiotropy RESidual Sum and Outlier, MR Egger, and weighted median, were employed to detect heterogeneity and pleiotropy, with inverse variance weighting serving as the principal estimation method (P < 0.05). The FC imaging-derived phenotypes revealed that BN exerted a causal influence on the FC between large-scale networks, including the visual network, default mode network (DMN), frontoparietal network, somatosensory network (SSN), and ventral attention network. Additionally, BN had a causal impact on the within-network FC of both the DMN and SSN. The study provides evidence that BN leads to further changes in FC patterns within and between large-scale brain networks.

Structural, magnetic, and magnetostrictive properties of Prx(Tb0.27Dy0.73)1‒xFe1.95 polycrystalline

Magnetostriction materials are a significant kind of magnetic functional materials, while RFe2 (R = rare earth) compounds, especially Tb0.27Dy0.73Fe2, with cubic Laves phase structure, are the most famous. In this work, polycrystalline Prx(Tb0.27Dy0.73)1–xFe1.95 (x = 0, 0.05, 0.10, 0.15, 0.2, 0.25) alloys were synthesized to explore the influence of adding Pr on the structural, magnetic and magnetostrictive properties of Tb0.27Dy0.73Fe1.95. The results show that Prx(Tb0.27Dy0.73)1–xFe1.95 alloys can form the C15 Laves phase when x ≤ 0.2. Meanwhile, the samples with a Pr content of up to 0.1 exhibit a higher saturation magnetostriction compared to the Pr-free sample. As the content of Pr in Prx(Tb0.27Dy0.73)1–xFe1.95 rises from 0 to 0.1, the saturation magnetostriction, λs, improves from 1057 ppm to 1147 ppm. The apparent enhancement of the magnetostrictive property of Tb0.27Dy0.73Fe1.95 reveals the great potential of (Pr,Tb,Dy)Fe2 to become a widely-used magnetostriction material. Larger lattice distortion of the material itself leads to an increase in magnetostriction.

Tuning the Spin Interaction in Nonplanar Organic Diradicals through Mechanical Manipulation.

Open-shell polycyclic aromatic hydrocarbons (PAHs) represent promising building blocks for carbon-based functional magnetic materials. Their magnetic properties stem from the presence of unpaired electrons localized in radical states of π character. Consequently, these materials are inclined to exhibit spin delocalization, form extended collective states, and respond to the flexibility of the molecular backbones. However, they are also highly reactive, requiring structural strategies to protect the radical states from reacting with the environment. Here, we demonstrate that the open-shell ground state of the diradical 2-OS survives on a Au(111) substrate as a global singlet formed by two unpaired electrons with antiparallel spins coupled through a conformational-dependent interaction. The 2-OS molecule is a "protected" derivative of the Chichibabin's diradical, featuring a nonplanar geometry that destabilizes the closed-shell quinoidal structure. Using scanning tunneling microscopy (STM), we localized the two interacting spins at the molecular edges, and detected an excited triplet state a few millielectronvolts above the singlet ground state. Mean-field Hubbard simulations reveal that the exchange coupling between the two spins strongly depends on the torsional angles between the different molecular moieties, suggesting the possibility of influencing the molecule's magnetic state through structural changes. This was demonstrated here using the STM tip to manipulate the molecular conformation, while simultaneously detecting changes in the spin excitation spectrum. Our work suggests the potential of these PAHs as all-carbon spin-crossover materials.

Magnetic porous functional material from coal mine waste for simultaneous removal of cadmium and arsenic in water and soil: Synergistic effect of iron-containing minerals and porous structure

Heavy metals such as cadmium and arsenic (Cd/As) can cause harmful effects on human health. Coal mine waste (coal gangue) is a solid waste residue without commercial values produced abundantly in the coalfield. Hence, treating Cd and As concurrently with reutilizing coal gangue (CG) is critical to ecologically sustainable growth. This work successfully synthesized the magnetic porous functional materials (MPCG) based on CG using a two-step method for the simultaneous removal of Cd and As in water and soil. First, MPCG exhibited an irregular network porous structure. Then, it consisted of iron (Fe), mainly in magnetite, hematite, and pyrite forms. Such properties also exhibited excellent pH adaptability and coadsorption capacity by removing up to 103.79 mg g−1 and 579.43 mg g−1 for Cd(II) and As(V), respectively. There is a synergistic effect between the iron-containing minerals and porous structure to enhance the adsorption capacity of MPCG for Cd(Ⅱ) and As(Ⅴ). Several primary potential adsorption mechanisms by MPCG for Cd(Ⅱ) and As(Ⅴ) were identified. The potential mechanisms of Cd(II) adsorption mainly include ion exchange, electrostatic attraction, surface complexation and precipitation/co-precipitation, and the potential mechanisms of As(V) adsorption mainly include electrostatic attraction, surface complexation and precipitation. In addition, the removal rates of MPCG for Cd and As in soil were as high as 44.78 and 38.44 %, respectively. In conclusion, MPCG has excellent potential as an efficient and environmentally compatible functional material, which provides a potential way to realize efficient heavy metal removal from our ecosystems.

Stable Magnetite@La-Fe Oxide Core-Shell Nanostructures Prepared via Lattice Lock for Reusable Extraction of Phosphate Anions.

Stable magnetic core-shell nanostructures are developed by lattice locking lanthanide-iron (La-Fe) oxide shells with magnetite cores to prevent the release of La from the surfaces of the magnetite nanostructures. The resulting core-shell nanostructures demonstrate excellent outstanding regeneration performance and high adsorption capacity for phosphate (115 mg P·g-1). These nanostructures release minimal La from the magnetite core surfaces after adsorbent regeneration, with a La loss of only 20% compared to the control sample, Mag@La(OH)3. La3+ ions were released at concentrations ranging from 1 to 2.3 μg·L-1 at pH levels of 4 to 8, which is within the metal content range found in natural aquatic environments. These results demonstrate the high stability of the nanostructures after regeneration. Furthermore, the adsorbent exhibits high extraction capacity across a wide pH range of 4 to 10 and performs well even in the presence of interfering anions at phosphate-to-anion molar ratios of 1:5, 1:25, and 1:100. Microscopic and spectroscopic analyses reveal that the primary extraction mechanism of phosphate in the La-containing shells is surface precipitation. This approach not only improves the use of magnetic core-shell nanostructures as adsorbents but also demonstrates the creation of a broad range of stable magnetic functional materials for diverse applications.

Fabrication and property research of a new 3D-Printable magnetorheological elastomer (MRE)

In order to meet the growing design demands for shape and structure of magnetic functional materials, particularly Magnetorheological Elastomers (MREs), additive manufacturing technology has been introduced into MRE production. Reported works of printable MRE (p-MRE) have successfully obtained high relative magnetorheological (MR) performance comparable to traditional MRE. However, there are still few studies on p-MRE with both high relative and absolute MR effects that is required for some applications such as intelligent dampers in automotive industry. In this study, polyurethane (TPU) and carbonyl iron powder (CIP) were utilized as raw materials to formulate p-MRE with high printability and high comprehensive MR performance. Based on the fused deposition modeling (FDM) process, a printing strategy suitable for this p-MRE material was determined through experimental design (DOE). The test result showed that the comprehensive MR performance of the p-MRE sheet samples obtained through linear printing path exceeded the majority of previously reported p-MRE materials. In addition, based on the analysis of the correlation between magnetic hysteresis like effect and MR effects, a circular printing path that may be beneficial for improving MR performance was proposed and corresponding p-MRE sheet sample was printed. The test results showed that compared with the linear printing path, the circular printing path further increases the comprehensive MR effect of the sheet sample to a maximum absolute MR effect of 4.2 MPa and a maximum relative MR effect of 620 %, which is comparable to most conventional MRE materials. Additionally, a theoretical framework associating magnetic field strength and filling density was proposed to explain peculiar phenomena observed in the experiments. On the basis of previous research on MREs and filler modified elastomers, a hypothesis was proposed to link magnetic field intensity with filler density, allowing the existing theory of filler modified elastomers to be used to explain the special phenomena observed in our experiments.

One-step grafting of phenyl functionalized magnetic mesoporous nanocomposites for magnetic dispersive solid-phase extraction and determination of triazole fungicide residues in strawberry fruits

In this work, phenyl-SBA-15@Fe3O4 organic phenyl functional magnetic mesoporous materials were synthesized as adsorbent for magnetic dispersive solid phase extraction (M−DSPE) sample pretreatment. Seven triazole fungicides were simultaneously analyzed by high-performance liquid chromatography coupled with ultraviolet detection (HPLC-UV). The extraction recovery was 82.7 %-88.6 %, and the concentration factor was 10.6–30.8. Under the optimized experimental conditions, the regression equations of seven triazole fungicides showed a good linear relationship, the coefficient of determination r2 was 0.9993–0.9999, and the detection limit was 0.19 ∼ 1.75 μg·L-1. Six strawberry samples were randomly purchased from different places in the market, and flesh,cortex, sepal, and pulp were detected separately. The results showed that flutriafol, triadimenol and difenoconazole were detected, of which flutriafol was detected from all of them and most of them exceeded the national standard. The extraction pretreatment technology is fast and efficient, which can meet the requirements of simultaneous analysis of triazole fungicide residues in strawberries.

La(Fe,Si/Al)13-based materials with exceptional magnetic functionalities: a review

The field of magnetic functional materials continues to garner significant attention due to its research and diverse applications, such as magnetic storage and spintronics. Among these, La(Fe,Si/Al)13-based materials exhibit abundant magnetic properties and emerge as highly captivating subjects with immense potential. This review provides an overview of the diverse magnetic structures and itinerant electron metamagnetic transition observed in La(Fe,Si/Al)13-based materials. The transformation of different magnetic configurations elicits the phenomena such as negative thermal expansion, magnetostriction, magnetocaloric effect, and barocaloric effect. In addition, the pivotal role of spin and lattice coupling in these phenomena is revealed. The magnetic functionalities of La(Fe,Si/Al)13-based materials can be controlled through adjustments of magnetic exchange interactions. Key methods, including chemical substitution, external field application, and interstitial atom insertion, enable precise modulation of these functionalities. This review not only provides valuable insights into the design and development of magnetic functional materials but also offers significant contributions to our understanding of the underlying mechanisms governing their magnetic behaviors.

Material informatics for functional magnetic material discovery

Functional magnetic materials are used in a wide range of “green” applications, from wind turbines to magnetic refrigeration. Often the magnetic materials used contain expensive and/or scarce elements, making them unsuitable for long term solutions. Further, traditional material discovery is a slow and costly process, which can take over 10 years. Material informatics is a growing field, which combines informatics, machine learning (ML) and high-throughput experiments to rapidly discover new materials. To prove this concept, we have devised a material informatics workflow and demonstrated the core components of natural language processing (NLP) to extract data from research papers to create a functional magnetic material database, machine learning with semi-heuristic models to predict compositions of soft magnetic materials, and high-throughput experimental evaluation using combinatorial sputtering and high-throughput magneto-optic Kerr effect (MOKE) magnetometry. This material informatics workflow provides a quicker, cheaper route to functional magnetic materials discovery.

Nanostructured CFO@SiN-DICP-DHDA as a novel reversible magnetic gelator for the fast and effective oil–water separation: Toluene optimization by CCD approach

In the present work, a novel approach has been described for the synthesis of a durable and recyclable functionalized nanomagnetic gelator namely CoFe2O4@SiO2-NH2-1-5 di isocyanatopentane- di Hexadecylamine (CFO@SiN-DICP-DHDA). The nanocomposite was then used for efficient oil/diesel separation from water, a combination of organic solvents and oil that has rarely applied. CFO@SN-DICP-DHDA was characterized using various techniques, including Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), Vibrating sample magnetometer (VSM), X-ray diffraction (XRD), and inverted microscopic and differential scanning calorimetry (DSC). The successful gelation of the oil leads to facile isolation of the gelator by an external magnetic field. Due to the remarkable oil separation capability, as well as the great mechanical and chemical stability of CFO@SiN-DICP-DHDA, it can tightly bind the organic and inorganic layers on the CoFe2O4 nanoparticles. The gelator demonstrates reproducible application for up to seven consecutive cycles without a significant reduction in performance. These outstanding results will pave the way for the removal of oil stains from water and the development of functional super magnetic gel materials. The initial maximum toluene uptake of ∼58 % was boosted to approximately ∼97.65 % through optimization using the central composite design (CCD) approach.

Giant enhancement of magnetostriction in Pt doped FeGa ribbons

FeGa alloys are among the most promising magnetostrictive materials. How to improve the magnetostriction of FeGa has been a long-term concern. In this work, trace amount of Pt doped FeGa-(Fe0.83Ga0.17)100–xPtx (x = 0, 0.2, 0.4, and 0.6) was fabricated using melt-spinning technique. The magnetostriction, crystal structure, and magnetocrystalline anisotropy of the ribbon samples were studied, revealing that the conforming between the crystal growth direction and the easy magnetization axis, and the enlarged lattice parameter both contribute to the enhancement of magnetostriction, which reached the maximum λ⊥ of −1369 ppm at the optimum composition x = 0.4. Finally, transmission electron microscopy was performed to show that nanoinclusions exist not only in Pt-doped but also in Pt-free samples, demonstrating that the nanoinclusions do not play the dominant role in magnetostriction improvement. This work may accelerate the design of highly magnetostrictive FeGa alloys and other magnetic functional materials, which are required of large magnetostriction.

Physics-Informed Machine-Learning Prediction of Curie Temperatures and Its Promise for Guiding the Discovery of Functional Magnetic Materials

Physics-Informed Machine-Learning Prediction of Curie Temperatures and Its Promise for Guiding the Discovery of Functional Magnetic Materials

Magnetically Stimulated Bio‐ and Electrochemical Systems: State‐of‐the‐Art, Applications, and Future Directions

AbstractMagnetically stimulated bio‐and electrochemical systems have gained increasing importance in recent years due to their enhanced sensitivity and selectivity, improved spatial control, and ability to operate in complex environments, offering significant advantages over conventional systems. Essentially, this review provides a comprehensive and informative survey about the state‐of‐art as well as the recent efforts and applications made in the past decade, with a focus on new functional magnetic materials and nano‐architectonic interfaces that have led to promising advances in biosensors, biofuel cells, and their integration into devices. Future directions and perspectives are also discussed.

Structural and Magnetic Properties of Ni Nanoparticles Embedded in Vinyl Polymer Nanocomposite Films

Ni nanoparticles layer of nominal thickness in the range of 5–40[Formula: see text]nm were deposited on polyvinyl alcohol (PVA) film by using the ion beam sputtering (IBS) technique. PVA films were made on a quartz substrate by the solution casting technique. Grazing incidence X-ray diffraction (GIXRD) results reveal Ni is present in a metallic form in the FCC phase. AFM shows that roughness increases with increase in thickness of Ni layer and corresponding MFM images of magnetic domains were recorded. Soft X-ray absorption spectroscopy (SXAS) studies on the PVA/Ni nanocomposites films were recorded using synchrotron radiation. This study is used to study the electronic structure of the as-prepared nanocomposite films and reveals that Ni nanoparticles are present in their metallic form. Magnetic properties were measured using the magneto-optical Kerr effect (MOKE) magnetometer and the films were found to be magnetically soft with higher value of coercivity at lower thickness of Ni nanoparticles layer. The results of magnetic studies are discussed in light of the microstructure and morphological features of PVA/Ni nanocomposite films. The PVA/Ni nanocomposites showed interesting anisotropic magnetic behavior; thus the investigative results may be useful for the development of futuristic flexible functional magnetic material system.

A computational study of the thermodynamic and magnetic properties of Co-alloyed MnPt

Magnetic functional materials remain an area of research interest for applications in electronic devices. Among these materials, Mn50Pt50 alloy has received a great deal of attention in practical potential applications such as spintronics due to its high-thermal and magnetic stability. It was reported previously that L10 Mn50Pt50 alloy shows ferromagnetic ordering at room temperature. In this study, the effect of the partial substitution of Pt with Co was investigated using density functional theory (DFT) approach. The thermodynamic, magnetic and mechanical properties were determined to check the stability of Mn50Pt50-xCox alloys. The results showed that the L10 phase has the lowest heat of formation when the c/a ratio is 1.10 for 6.25 at.% Co. Overall magnetic moments improve with an increase in Co compositions when the c/a ratio is 1.10. The obtained results reveal that Mn50Pt50-xCox alloys exhibit attractive magnetic and mechanical properties for future magnets in spintronics applications.Graphical

Dual solutions of magnetite/cobalt/manganese-zinc-aqueous nano-ferrofluids from a stretching sheet with magnetic induction effects: MHD stagnation flow computation and analysis

A theoretical study is presented for the steady magnetohydrodynamic (MHD) boundary layer stagnation point flow of a nano-ferrofluid along a linearly moving stretching sheet, as a simulation of functional magnetic materials processing. Due to having imerging applications in heat transfer, the nano-ferrofluids draw the attention which comprise an aqueous base fluid doped with a variety of magnetic nanoparticles, i.e. magnetite (Fe3O4), cobalt ferrite (CoFe2O4) and Manganese-zinc (Mn-Zn) ferrite. A partial differential equation mathematical model is developed for mass, momentum, magnetic field continuity (induction), and energy with appropriate wall and free stream boundary conditions. Following similarity transformations, the dimensionless resultant nonlinear ordinary differential boundary value problem is solved numerically using the robust bvp4c function in MATLAB which features very efficient 4th order optimized Runge–Kutta quadrature. Dual solutions for the upper branch and lower branch separated by a critical point are identified. Visualization of velocity, temperature, and induced magnetic field function are presented graphically including validation of solutions with previous studies. Furthermore, skin-friction coefficient and the local Nusselt number are also computed. The impact of the controlling parameters, i.e. Prandtl number nanoparticle volume fraction parameter reciprocal of magnetic Prandtl number magnetic parameter and stretching rate ratio parameter have been illustrated through graphs and evaluated when a desire heat transfer can occur. Furthermore, resistance between fluid and the plate can be increased with the growing magnetic Prandtl number values. Increment in magnetic parameter () produces an elevation in the induced magnetic field magnitudes. Skin friction and Nusselt number are found to be greater for cobalt nanoparticles when compared to magnetite and Mn-Zn ferromagnetic nanoparticles when there is an increase in reciprocal magnetic Prandtl number. The simulations provide a deeper insight into the manufacturing flows of functional nano-ferromagnetic materials of relevance to deposition and coating systems.

Theoretical investigations on elastic properties, phase stability, and magnetism in Ni2Mn-based all- d−metal Heusler compounds

The elastic properties, phase stability, and magnetism and correlations among them in all-$d\text{\ensuremath{-}}\mathrm{metal}$ Heusler compounds, i.e., ${\mathrm{Ni}}_{2}\mathrm{Mn}T$ ($T=\mathrm{Sc}$, Ti, V, Cr, Y, Zr, Nb, Mo, Hf, Ta, and W) were systematically investigated by first-principles calculations. The results indicated that ${\mathrm{Ni}}_{2}\mathrm{Mn}T$ compounds were not fully consistent with the conventional atomic preferential occupation rule in the Heusler family. Within the scope of Heusler structures, ${\mathrm{Ni}}_{2}\mathrm{Mn}T$ compounds containing early transition metal atoms preferred $L{2}_{1}\text{-type}$ structure, while those with late transition metal atoms were relatively stable in ${\mathrm{Hg}}_{2}\mathrm{CuTi}\text{\ensuremath{-}}\mathrm{type}$ structure. In $d\text{\ensuremath{-}}d$ interatomic hybridization-controlled all-$d\text{\ensuremath{-}}\mathrm{metal} {\mathrm{Ni}}_{2}\mathrm{Mn}T$ Heusler compounds, the atomic radius determined the lattice sizes. Owing to the strong couplings among elastic parameters, phonon modes, and electronic structure, the most likely martensitic phase transition could be expected in weakly magnetic ${\mathrm{Ni}}_{2}\mathrm{Mn}T$ compounds with late transition metal atoms. By applying hydrostatic pressure or imposing chemical pressure via adjusting the composition of Ti in an off-stoichiometric Ni-Mn-Ti system, magnetism was weakened, and the suppressed martensitic phase transition could be re-evoked. In this paper, we also revealed that experimentally observed antiferromagnetism in ${\mathrm{Ni}}_{2}\mathrm{MnTi}$ originated from the arrest of the atomic diffusion process during the transition from the high-temperature chemically disordered paramagnetic state to the low-temperature chemically and magnetically ordered ferromagnetic state, which resulted in the formation of an intermediate metastable and partially disordered antiferromagnetic phase. Comparatively, ${\mathrm{Ni}}_{2}\mathrm{Mn}T$ compounds with early transition metals showed better ductility. In representative ${\mathrm{Ni}}_{2}\mathrm{MnY}$ and ${\mathrm{Ni}}_{2}\mathrm{MnTa}$, it was found that nondirectional $d\text{\ensuremath{-}}d$ interatomic hybridization became prevailing and helped establish the metal bonding character, which consequently enhanced the ductility. This paper can provide more insight into understanding the mechanism of martensitic phase transition and the origin of experimental anomalous magnetic states as well as the scheme to design multiple functional magnetic materials with outstanding ductility in the all-$d\text{\ensuremath{-}}\mathrm{metal}$ Heusler family. Experimentally observed exceptional multicaloric effects in Ni-Mn-based compounds with outstanding mechanical properties make all-$d\text{\ensuremath{-}}\mathrm{metal}$ Heusler compounds attractive for potential solid-state refrigeration application.

Novel CoFeAlMn high-entropy alloys with excellentsoft magnetic properties and high thermal stability

High-entropy alloys (HEAs), which are composed of 3d transition metals such as Fe, Co, and Ni, exhibit an exceptional combination of magnetic and other properties; however, the addition of non-ferromagnetic elements always negatively affects the saturation magnetization strength (Ms). Co4Fe2AlxMny alloys were designed and investigated in this study to develop a novel HEA with excellent soft magnetic properties. The Co4Fe2Al1.5Mn1.5 HEA possesses the highest Ms of 161.3 emu g–1 thus far reported for magnetic HEAs, a low coercivity of 1.9 Oe, a high electrical resistivity of 173 μΩ cm, a superior thermal stability up to 600 °C, which originates from the novel microstructure of B2 nanoparticles distributed in a DO3 matrix phase, and the crucial transition of Mn from antiferromagnetism to ferromagnetism with the assistance of Al. The Co4Fe2Al1.5Mn1.5 HEA was selected to produce micron-sized powder and soft magnetic powder cores (SMPCs) for application in the exploration field. The SMPCs exhibit a high stable effective permeability of 35.9 up to 1 MHz, low core loss of 38.1 mW cm–3 (@100 kHz, 20 mT), and an excellent direct current (DC) bias performance of 87.7% at 100 Oe. This study paves the way for the development of soft magnetic HEAs with promising applications as magnetic functional materials.

Revisiting the Storage Capacity Limit of Graphite Battery Anodes: Spontaneous Lithium Overintercalation at Ambient Pressure

The market quest for fast-charging, safe, long-lasting, and performant batteries drives the exploration of new energy storage materials, but also promotes fundamental investigations of materials already widely used. Presently, renewed interest in anode materials is observed—primarily graphite electrodes for lithium-ion batteries. Here, we focus on the upper limit of lithium intercalation in the morphologically quasi-ideal highly oriented pyrolytic graphite, with a LiC6 stoichiometry corresponding to nominally 100% state of charge. We prepare a sample by immersion in liquid lithium at ambient pressure and investigate it by static 7Li nuclear magnetic resonance (NMR). We resolve unexpected signatures of superdense intercalation compounds, LiC6−x. These have been ruled out for decades, since the highest geometrically accessible composition, LiC2, can only be prepared under high pressure. We thus challenge the widespread notion that any additional intercalation beyond LiC6 is insignificant under ambient conditions. We monitor the sample upon calendaric ageing and employ ab initio calculations to rationalize the NMR results. Computed relative stabilities of different superdense configurations reveal that non-negligible overintercalation does proceed spontaneously beyond the currently accepted capacity limit. The associated capacity gain is not worth pushing graphitic battery anodes beyond the LiC6 limit in practical applications; rather these findings carry more fundamental implications. Neglecting overintercalation may hinder the correct interpretation of experimental observations, as well as the correct design of computational models, in investigations of performance-critical phenomena, as it is likely to play a crucial role in the onset mechanism of lithium plating and dendrite formation in real battery materials.Received 15 November 2021Revised 13 January 2023Accepted 20 January 2023DOI:https://doi.org/10.1103/PRXEnergy.2.013003Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Physical SystemsBatteriesGraphiteTechniquesDensity functional theoryNuclear magnetic resonanceCondensed Matter, Materials & Applied Physics

An environmentally friendly process for selective recovery of lithium and simultaneous synthesis of LiFe5O8 from spent LiFePO4 battery by mechanochemical

This study provides a green, economical, and effective approach for selective recovery of lithium from spent LFP battery by inducing electron transfer through mechanochemical activation, and the leaching solution was simultaneously converted to a magnetic functional material LiFe5O8. In the mechanochemical process, only ferric chloride was used as a grinding agent. Experimental results showed that more than 97 wt% of lithium in the cathode materials could be selectively recovered with a purity of 99.9% under optimal conditions (FeCl3:LiFePO4 mass ratio of 1.2:1, rotary speed of 600 rpm, and reaction time of 30 min). Mechanism analysis indicated the key point was that electrons were transferred to ferric chloride from LFP cathode material, and the LFP was oxidized to iron phosphate during mechanochemical activation, but the olivine structure of the cathode material remained unchanged. Therefore, lithium could be easily extracted from the olivine structure. In addition, the LiFe5O8 synthesized from spent LFP battery has good magnetic properties, in which the saturation magnetization (Ms) was 49.23 emu/g. Economic analysis indicated that the income from recycling one ton of spent LFP batteries was $4959.39. It is confident that this study developed a green and economic process for high-value-added recycling of spent LFP batteries.