Dopants in semiconductor nanostructures offer tremendous control over electronic, optical, and magnetic properties beyond what is achievable in bulk materials. We demonstrate that the broad dopant emission in semiconductor nanoplatelets effectively maps the electron wave function across the nanoplatelet thickness. Both the emission energy and lifetime of the dopant transition depend strongly on the depth of the dopant within the nanoplatelet. This dependence arises from the electrostatic self-interaction of the charged dopant, which varies with proximity to the dielectric discontinuity at the nanoplatelet surface. Through comprehensive single-particle spectroscopy of silver-doped CdSe nanoplatelets, we verify that acceptors near the center emit at higher energies with shorter lifetimes, while those near the surface emit at lower energies with longer lifetimes. This spatial mapping also reveals unusual two-color emission from individual nanoplatelets, with enhanced Auger recombination yielding exceptional photon antibunching (>90% purity) at room temperature, suggesting potential applications in quantum information technologies.

Rhenium disulfide (ReS₂) and related two-dimensional transition metal dichalcogenides (TMDCs) have emerged as promising candidates for spintronic applications, primarily due to the possibility of tailoring their magnetic and electronic properties through defect engineering. In this work, we carry out a comprehensive first-principles investigation of eighteen intrinsic point defects in monolayer ReS₂, including single vacancies, vacancy complexes, and antisite defects, under both Re-rich and S-rich growth conditions. Our results reveal a much richer defect-induced magnetic landscape than previously reported, indicating that magnetism in ReS₂ is not limited to defects involving rhenium atoms alone. In particular, we find that the emergence of magnetic moments is highly sensitive to the specific defect site and local atomic environment. Notably, theV2Redefect exhibits contrasting magnetic behavior depending on its configuration, being magnetic in one case while remaining nonmagnetic in another. Several defect configurations are found to significantly modify the electronic structure, leading to semiconductor-to-half-metal transitions in case ofV1Re+3Sdefect and/or semiconductor-to-half-semiconductor transitions with pronounced bandgap narrowing in case of other defect configurations. These changes are expected to have implications for charge transport and carrier recombination processes. Importantly, we identify previously unexplored defect configurations in ReS2that exhibit robust and stable magnetic moments. By linking defect formation energetics and changes in the electronic structure, this study provides fundamental insight into how defect type and spatial arrangement induces magnetic ordering. Overall, our findings highlight the potential of defect-engineered ReS₂ monolayers for future spintronic and quantum device applications.

ABSTRACT This research work presents a study on the application of magnetic susceptibility and heavy metal for assessing pollution in the soil samples collected from Tirunelveli District, Tamil Nadu. Heavy metal contents were determined using Energy Dispersive X-Ray Fluorescence (EDXRF) method. The pollution load index indicated that study area is free from the pollution. The magnetic susceptibility (χ) of the collected soil samples was measured at both low and high frequency (χlf and χhf) using the Bartington MS2 dual frequency meter and which was further used to calculate the frequency dependent susceptibility (χfd). The frequency dependent susceptibility (χfd) low mean value indicated that the magnetic properties of the samples are predominately contributed by multi-domain grains, rather than by super paramagnetic particles. Multivariate statistical analysis was conducted to determine the influence on magnetic susceptibilities with heavy metals and to detect soil contamination from anthropogenic or natural sources. The statistical analysis revealed heavy metals in the soil is positively correlated with the magnetic parameters, indicating an interconnection and also is evidence for the accumulation of heavy metals through anthropogenic activities. The study revealed that magnetic susceptibility measurements can be used as a proxy and fastest method of determining heavy metal pollution in soils.

Synthetic graphene nanoribbons (GNRs) have drawn significant attention due to their unique optical, electronic, and magnetic properties. Considerable efforts have been exerted in developing versatile synthetic methods to manipulate the architectures and properties of GNRs. However, these synthetic methodologies have still struggled to achieve a delicate control over the sequence and function of GNRs at the molecular level, thereby limiting their application potentials across a range of scientific and technological fields. Herein, we report a robust liquid-phase bottom-up synthesis strategy for the creation of sequence-regulated functional GNRs, enabling precise control over the side-chain sequence of GNRs. Using this approach, diversified sequence-regulated GNRs have been produced, demonstrating readily regulated hierarchical nanostructures and optical properties, attributing to their sequence-dependent molecular stacking mode. This liquid-phase bottom-up synthetic technology enabled the incorporation of the side-chain structural and functional diversity into GNRs, further holding great promise for optoelectronic and biomedical applications.

As a renowned class of open-shell molecules characterized by triangular nanographenic structures and novel magnetic properties with high-spin ground states, triangulenes are attractive targets to both synthetic chemists and molecular magnet researchers. Here, a highly stable aza-derivative of [4]triangulene triradical (1) is achieved, with a quartet ground state (S = 3/2). By virtue of the stability under ambient conditions (τ1/2 ~ 9 days in the solid state and 28 h in an air-saturated solution), thorough structural and magnetic characterizations are performed. Crystallographic analysis confirms that 1 hasa planar triangular polycyclic aromatic skeleton embedded with delocalized spins. Concurrently, continuous-wave and pulsed EPR spectroscopies provide unambiguous evidence supporting its high-spin ground state. SQUID measurements reveal impressively large doublet-quartet energy gap (ΔED-Q = 3.18 kcal/mol), indicating very strong intramolecular ferromagnetic spin-spin exchanges (J/kB = +534 K) rendered by the triangulene structure.

ABSTRACT Rock magnetic properties, magnetic anisotropy and magnetic fabrics of crustal rocks are controlled by lithology and crustal processes like metamorphism, which causes a systematic variation in the rock magnetic properties and magnetic fabrics. Such variations of rock magnetic properties and magnetic fabrics due to lithology and grade of metamorphism are still to be unravelled in detail. In this study, rock magnetic and anisotropy of magnetic susceptibility (AMS) studies are conducted on the metamorphic rocks belonging to granulite facies (quartzofeldspathic rocks/migmatite and granite gneiss), amphibolite facies (meta‐gabbro and meta‐norite) and associated igneous intrusions of the Proterozoic Chhotanagpur Granite Gneissic Complex (CGGC) of the East Indian Shield. The main aim is to determine the control of the metamorphic grade on the rock magnetic properties and the magnetic fabrics of the rocks. The main magnetic mineral identified is magnetite, with certain interferences of sulphide. Rock magnetic properties and magnetic fabrics show that the volcanic rocks exhibit the strongest magnetization due to their high concentration of stable single domain (SSD) magnetite. Magnetite dominates the magnetic mineralogy of both volcanic and metamorphic rocks; within the metamorphic sequence, SSD magnetite increases from amphibolite to granulite facies but decreases in migmatites owing to quartzofeldspathic enrichment. This integrated approach provides more robust magnetic proxies for metamorphic grade. Consequently, rock magnetic and magnetic fabric analyses together offer valuable insights into the metamorphic signatures of crustal basement rocks.

Multifunctional magneto-theranostic nanoplatform, with integrate imaging and therapy in simple platform offer transformative potential for precision cancer management due to their strong magnetic properties, biocompatibility, and versatile theranostic capabilities. Here, we report for the first time the theranostic application of in situ mesoporous core-shell MIL-88A@CuFe2O4 nanohybrid, as an interesting smart platform for dual-mode T1-T2MRI and optical imaging with quantitative analysis, combined with pH-sensitive targeted drug delivery. The nanohybrid was fabricated via a simple in situ synthesis, where Fe (0) from the CuFe2O4 core serves as a Fe3+ source for MIL-88A shell crystallization in the presence of fumaric acid, producing a mesoporous structure with high porosity and strong magnetism. Fe3+ centers in the MIL-88A shell provide T1 contrast, while the CuFe2O4 core enhances both T1 and T2 signals, achieving robust dual-mode MRI (r1 = 73.0 mM-1 s-1, r2 = 700.9 mM-1 s-1). The mesoporous shell allows pH-sensitive controlled release of doxorubicin, and folate conjugation ensures active tumor targeting, while intrinsic doxorubicin fluorescence enables optical tracking of biodistribution in vivo. Comprehensive in vitro and in vivo evaluations demonstrated high biocompatibility, selective cancer cell uptake, effective pH-responsive drug release, dual-modal MRI and fluorescence contrast, and significant tumor growth inhibition in a triple-negative breast cancer (4T1) mouse model. The nanohybrid's combination of high porosity, strong magnetism, dual T1-T2MRI contrast, targeted drug delivery, and therapeutic efficacy distinguish it from existing theranostic agents. This work highlights a theranostic application of MIL-88A@CuFe2O4 nanohybrids, demonstrating their potential as a unique multifunctional platform for precise cancer diagnosis and treatment.

Abstract The structural, electronic and magnetic properties of pure ZnO and Zn1-xFexO (x=0.125, 0.25, 0.375, 0.5) are comprehensively studied using first-principles calculations. Pure ZnO exhibits insulating and nonmagnetic behaviour. The introduction of Fe creates parallelogram-shaped structures (PSSs) from the Zn and Fe atoms, with symmetry properties differing among the various Fe concentrations; Zn0.875Fe0.125O and Zn0.75Fe0.25O exhibit loss of crystal symmetry, while Zn0.625Fe0.375O and Zn0.5Fe0.5O preserve crystal symmetry. All four Zn1-xFexO compounds display half-metallic behaviour. Compared to Zn0.875Fe0.125O, the electrical conductivity reduces drastically in Zn0.75Fe0.25O, Zn0.625Fe0.375O and Zn0.5Fe0.5O. The half-metallic nature of Zn0.875Fe0.125O and Zn0.75Fe0.25O is attributed to the partial filling of the Fe-dxy, dyz, dxz and dx2- y2 states in the minority spin channel. The presence of two types of Fe ions, Fe1 and Fe2, is observed in Zn0.625Fe0.375O and Zn0.5Fe0.5O. The partial filling of Fe1-dxy, dyz, dxz, dx2- y2 states results in the half-metallic character of Zn0.625Fe0.375O and Zn0.5Fe0.5O. The unequal distribution of electrons in the two spin channels facilitates ferrimagnetism in all four Zn1-xFexO materials. The p-d hybridization occurs between Fe-3d and O-2p states, which becomes more pronounced with increased Fe concentration. The ferromagnetic coupling between Fe and O increases gradually as the Fe content in Zn1-xFexO rises.

Five new heterometallic carboxylate complexes of the composition [Co2Li2(A)6(L)2] (L = 4-phenylpyridine, A = 2-furoate anion (1); L = 2,2'-bipyridine, A = 2-furoate anion (2), 3,5-di-tert-butylbenzoate anion (3); L = quinoline, A = 3-cyanobenzoate anion (4), 4-cyanobenzoate anion (5)) were synthesized. The structures of all compounds were determined by single-crystal X-ray diffraction. When monodentate N-donor ligands are replaced by chelating 2,2'-bipyridine, the coordination polyhedron of cobalt ions changes from a distorted tetrahedron to a distorted octahedron. Complexes 1-4 are field induced single-molecule magnets. Mechanisms of slow magnetic relaxation are discussed taking into account both experimental data and quantum chemical calculations.

Eriobotrya japonica-derived TiO₂-carbon dot/Fe₃O₄-chitosan hybrid nanocomposite for adsorptive and photocatalytic removal of crystal violet.

Maximum entropy reconstruction of electronic structure in (Fe Ni) co-substituted SnS2 nano-discs exhibiting tunable optical and magnetic properties

A coordination polymer of Co(II) based on 5-(3-methyl-1H-1,2,4-triazol-1-yl) isophthalic acid: Synthesis, structure and magnetic properties

Non-centrosymmetric triclinic polymorph of bis(triphenylphosphine oxide)copper(II) dibromide: Crystal structure, magnetic properties, and DFT calculations

Synthesis, structure, magnetic property, and proton conduction of a hydrogen-bonded framework assembled from Fe(II) coordination chains

Co-doped ZnO thin films: Experimental and DFT insights into structural, optical and magnetic properties

Magnetic properties, reentrant phenomenon, and phase diagrams in mixed half-integer spin (1/2, 5/2) Ising model under a random crystal field

A comprehensive study on CeO2-Gd2O3 doped hydroxyapatite nano powders: Structural, optical, magnetic and biological properties insights for bone regeneration and osteosarcoma therapeutic applications

Ab-Initio investigation of the structural, elastic, electronic, magnetic and optical properties of Mn-doped ZnSe wurtzite: Application in solar cells

Exploration of structural, magnetic, electrical polarization, optical and microwave absorption properties of rGO/hexaferrites composites

First-principles investigation of vacancy and doping effects on the magnetic and electronic properties of monolayer β-MoSi2N4