jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Roxanna Martinez (21782436) | Ökten Üngör (6744263) | Cassidy E. Jackson (8728026) | Firoz S. T. Khan (21782439) | Johan van Tol (9258673) | Joseph M. Zadrozny (1412383)
Source: Figshare (article, 2025-07-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ligand-NucleiEffects on Spin Relaxation in V(IV)Complexes Understanding how magnetic nuclei affect spin relaxation is vital for designing robust spin coherence in magnetic materials and molecules. A key question is the extent that magnetic nuclei close to a spin (e.g., in the ligand shell of a metal complex) influence relaxation and how it varies over different classes of nuclei. Herein, we apply high-field EPR, X-band EPR, and ac magnetic susceptibility techniques to a family of five V(IV) complexes of the type [V(C<sub>6</sub>X<sub>4</sub>O<sub>2</sub>)<sub>3</sub>]<sup>2–</sup>, featuring five different sets of 12 nuclear spins on the ligand shell: X = <sup>1</sup>H (<b>1</b>), <sup>2</sup>H (<b>2</b>), <sup>19</sup>F (<b>3</b>), <sup>35/37</sup>Cl (<b>4</b>), and <sup>79/81</sup>Br (<b>5</b>). We found several unanticipated results in these studies. For example, at high-field/-frequency, we found that compound <b>1</b>, with the highest-magnetic-moment ligand nuclear spins, exhibits the longest phase memory relaxation times of the series. Furthermore, at lower fields, we found that the spin–lattice relaxation time and its field dependence were ligand-dependent, despite no obvious change in electronic structure across the five species. Based on this data, structural comparisons, and Raman spectroscopic data, we tentatively conclude that the spin–lattice relaxation properties of <b>1–5</b> stem from fine-tuning of the local magnetic environment with changing identity of the X atoms. Relaxation (psychology) ; Spins ; Spin (aerodynamics) ; Spin–spin relaxation ; Magnetic field ; Magnetic relaxation ; Ligand (biochemistry) ; Magnetic susceptibility Magnetism in coordination complexes ; Electron Spin Resonance Studies ; Lanthanide and Transition Metal Complexes
Authors: Qi Chen | Deyuan Yang | Longjie Zhang | Huangyao Chen | Xinyong Gong | Ruirui Cui | Chaoyong Deng
Source: Journal of Alloys and Compounds (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Cs2NaLuCl6: Sb3+, Tb3+, Sm3+ phosphors for high quality tunable white light application Phosphor ; White light ; Materials science ; Quality (philosophy) ; Mineralogy ; Chemistry ; Optoelectronics ; Physics Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Gas Sensing Nanomaterials and Sensors
Authors: Manikandan Dhamodaran | Rahul Kumar Yadav | Rajeev Gupta
Source: Journal of Magnetism and Magnetic Materials (review, 2025-01-25)
Field: Materials Science — Materials Chemistry

Ferromagnetism in In2O3-based nanostructures: A review on structure, shape, electronic structure, magnetic properties, DFT modeling and applications Ferromagnetism ; Materials science ; Electronic structure ; Nanostructure ; Condensed matter physics ; Magnetic structure ; Nanotechnology ; Physics ; Magnetic field ; Magnetization ; Quantum mechanics ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Ga2O3 and related materials
Authors: Sirui Zhang | Puqi Hao | Borui Wang | Shuaibing Gao | Fei Yan | Min Liao
Source: Thin Solid Films (article, 2025-08-29)
Field: Materials Science — Materials Chemistry

Polarization evolution in ferroelectric thin films at different electrode interfaces without strain Ferroelectricity ; Polarization (electrochemistry) ; Electrode ; Materials science ; Thin film ; Strain (injury) ; Optoelectronics ; Nanotechnology ; Chemistry ; Dielectric ; Physical chemistry ; Biology Ferroelectric and Piezoelectric Materials ; Electronic and Structural Properties of Oxides ; Multiferroics and related materials
Authors: Tomasz Jüngst
Source: Orthopaedic Proceedings (article, 2025-09-15)
Field: Materials Science — Biomaterials

BIOFABRICATION APPROACHES FOR THE GENERATION OF SMALL-DIAMETER VASCULAR GRAFTS Vascularization plays a crucial role in bone tissue engineering, as it ensures the supply of nutrients and oxygen necessary for tissue regeneration and integration with host tissue and is essential for maintaining tissue health. Biofabrication aims to mimic the hierarchical structure of natural tissues to enhance the performance of fabricated constructs. Biofabricated tissue models should replicate not only the macroscopic structure and shape but also the microarchitecture and biomechanics of the tissues they replace. These design criteria are vital for generating models with improved function and tissue specificity. The objective of this work is to demonstrate the compatibility and options for convergence of fabrication techniques to generate biomimetic small diameter vascular grafts. Potential applications in bone tissue engineering will be highlighted. The demonstrated bi-layered tubular constructs are fabricated using a combination of solution electrospinning (ES) and melt electrowriting (MEW). To fine-tune the mechanical properties of these scaffolds, various combinations of materials, such as polycaprolactone (PCL) and poly(ester urethane) (PEU), are employed in ES to influence the overall properties of the grafts. The mechanical properties of the cell-seeded constructs are compared and adjusted to match those of native human tissues. Additionally, the synergy between MEW and Volumetric Bioprinting (VBP) is explored. VBP enables printing around MEW tubes, enhancing the mechanical properties of hydrogel-based constructs and allowing the creation of cell-containing three-layered constructs that mimic the layered structure of human blood vessels. This approach is particularly beneficial for bone applications, where vascularization is critical for successful tissue integration and regeneration. In conclusion, this presentation demonstrates how the combination of different fabrication methods can be utilized to create hierarchical, multi-layered tubular constructs with biomimetic architectures and adjustable mechanical properties. Biofabrication ; Polycaprolactone ; Electrospinning ; Tissue engineering ; Fabrication ; Self-healing hydrogels ; Mechanical strength ; Bone tissue Electrospun Nanofibers in Biomedical Applications ; Infectious Aortic and Vascular Conditions ; Tissue Engineering and Regenerative Medicine
Authors: Yang, Pu
Source: cIRcle (University of British Columbia) (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Molten salt strategies for preparation of biocarbon towards advanced pore structure and supercapacitor applications Pore structure engineering remains a critical challenge in the development of high-performance biocarbon materials, particularly for supercapacitor applications where an optimal balance of high specific surface area (SSA), tunable pore size distribution (PSD), and interconnected micro–mesoporous network is essential for effective ion adsorption and diffusion. Conventional activation methods, such as KOH or H₃PO₄ treatment, often suffer from poor control over PSD, high energy consumption, excessive chemical usage, and reliance on trial-and-error experimental design, limiting their tunability, scalability, and sustainability. This thesis introduces a systematic binary molten salt carbonization strategy to enhance and control the pore structure of biocarbon derived from chitin, an underutilized biomass waste. A novel ZnCl₂–CaCl₂ binary molten salt system is developed to achieve biocarbon with a hierarchical porous structure, high SSA (1671 m² g⁻¹), and rich heteroatom retention at 800 °C. These two salts show synergistic effects on enhancing SSA but play distinctively different roles in facilitating micropore and mesopore formation. Subsequently, a general strategy for binary molten salt selection is developed based on the understanding of salt accessibility and reactivity. CuCl₂ and ZnCl₂ serve as suitable primary salts and combined with various secondary salts such as CoCl₂ and CaCl₂ to fine-tune micropore-mesopore structure under different operating conditions. Notably, a ZnCl₂–CoCl₂ system achieved ultrahigh SSA (~2500 m² g⁻¹) at only 500 °C, and further guidance on secondary salt selection for pore tuning in ZnCl₂-based salt systems is proposed for low-temperature activation based on the mechanistic understanding of the roles of salt diffusion, transition and interactions with chitin for primary and secondary salts in controlling pore creation and development. Finally, the electrochemical characterization of fabricated biocarbon electrodes confirm excellent supercapacitor performance, including high specific capacitance, rate capability and long-term cyclic stability. Multivariable regression further quantitatively clarifies the contributions of micropore volume and mesopore fraction to specific capacitance and rate capability. Overall, this work offers a systematic and guided approach for tunable pore structure engineering in biocarbon, advancing the design of high-performance biocarbon for supercapacitors and adsorption-related applications (e.g., CO₂ capture). It marks a step forward from conventional and empirical fabrication methods towards organized and mechanism-driven process and material design. Molten salt ; Salt (chemistry) ; Carbonization ; Supercapacitor ; Porosity ; Microporous material ; Limiting Supercapacitor Materials and Fabrication ; Adsorption and biosorption for pollutant removal ; Aerogels and thermal insulation
Authors: Chi Ho Wong | Zong Liang Guo | K. S. Lam | C. C. Chau | Wing Hong Chan | Chak Yin Tang | Tsang, Yuen Hong | Leung Yuk Frank Lam | Xijun Hu
Source: ArXiv.org (preprint, 2025-04-10)
Field: Materials Science — Materials Chemistry

Tuning Charge Density Wave in the Transition from Magnetically Frustrated Conductor to Ferrimagnetic Insulator in Carbon Nanowire within Boron Nitride Nanotube The emergence of exotic charge density wave (CDW) alongside ferrimagnetism materials opens exciting new possibilities for quantum switching, particularly in field-tuning CDW electronics. However, these two phenomena often compete and rely heavily on strong electronic correlations. While carbon nanowire arrays have been experimentally shown to exhibit ferromagnetism above 400 K, our research shows that encapsulating a linear carbon chain (LCC) within zigzag boron nitride nanotubes (BNT) induces a short-range CDW state under a competing effect of ferrimagnetism and magnetic frustrations. However, for this exotic feature to occur, the LCC needs to break the symmetry along the circular plane of the BNT. Then we utilize a Monte Carlo model to identify the optimal length of LCC@BNT to tackle its size effect, while also comparing the stability of chains provided by carbon nanotubes. The shorter LCC@BNT displays a more prominent long-range CDW pattern with a tunneling barrier of 2.3 eV on the Fermi surface, transitioning into an unconventional insulator. Meanwhile, magnetic frustrations disappear, and ferrimagnetism remains stable up to 280 K. Our discovery of ferrimagnetic CDW carbyne insulators, which function without conventional periodic lattice distortion, spin-orbit coupling, or complex d and f hybridization represents a groundbreaking shift in thinking, which demonstrates that such exotic properties are not exclusive to transition metal elements. We anticipate that spin fluctuations in LCC@BNT could enable fine-tuning of the CDW pattern, and applying an electric excitation of 2.3 eV triggers an abrupt insulator-to-conductor transition for quantum switching applications. Ferrimagnetism ; Charge density wave ; Boron nitride ; Quantum tunnelling ; Zigzag ; Fermi level ; Carbon nanotube ; Ferromagnetism Boron and Carbon Nanomaterials Research ; Diamond and Carbon-based Materials Research ; Graphene research and applications
Authors: Jonathan Spring (4413994) | Natalya Fedorova (21022107) | Alexandru B. Georgescu (10813663) | Alexander Vogel (818110) | Gabriele De Luca (244081) | Simon Jöhr (21022110) | Cinthia Piamonteze (1424257) | Marta D. Rossell (1334541) | Jorge Íñiguez-González (21022113) | Marta Gibert (5348828)
Source: Figshare (article, 2025-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineeringthe Magnetic Transition Temperatures andthe Rare Earth Exchange Interaction in Oxide Heterostructures The properties of functional oxide heterostructures are strongly influenced by the physics governing their interfaces. Modern deposition techniques allow us to accurately engineer interface physics through the growth of atomically precise heterostructures. This enables minute control over the electronic, magnetic, and structural characteristics, which in turn allows for the tuning of the properties of the heterostructures and can even lead to the emergence of properties not present in the individual heterostructure components. Here, we investigate the magnetic properties of tailor-made superlattices employing the ferromagnetic and insulating double perovskites RE<sub>2</sub>NiMnO<sub>6</sub> (RE = La, Nd), featuring distinct Curie temperatures. Adjusting the superlattice periodicity at the unit cell level allows us to engineer the magnetic phase diagram. Large periodicity superlattices conserve the individual para- to ferromagnetic transitions of the La<sub>2</sub>NiMnO<sub>6</sub> and Nd<sub>2</sub>NiMnO<sub>6</sub> parent compounds. As the superlattice periodicity is reduced, the Curie temperatures of the superlattice constituents converge and, finally, collapse into one single transition for the lowest period samples, illustrating that low-periodicity superlattices behave as a unique material. This is a consequence of the magnetic order parameter propagating across the superlattice interfaces, as supported by a minimal Landau theory model. Further, we find that the Nd–Ni–Mn exchange interaction can be enhanced by the superlattice interfaces. This leads to a field-induced reversal of the Nd magnetic moments, as confirmed by synchrotron X-ray magnetic circular dichroism measurements and supported by first-principles calculations. Our work demonstrates how superlattice engineering can be employed to fine-tune the magnetic properties in oxide heterostructures and broadens our understanding of magnetic interfacial effects. Superlattice ; Heterojunction ; Curie temperature ; Ferromagnetism ; Magnetic circular dichroism ; Curie ; Magnetism ; Oxide Magnetic and transport properties of perovskites and related materials ; Multiferroics and related materials ; Electronic and Structural Properties of Oxides
Authors: Md Zafar Iqbal | Thomas F. Burks | Pappu Yadav | Satya Aakash Chowdary Obellaneni | Inayat Rasool | Ivan Perez Olivera | Ritu Aggarwal | Young Chang | Ali Mirzakhani Nafchi | Shyam Solanki | David Karki | Quentin Frederick | Jianwei Qin | Moon S. Kim
Source:  (article, 2025-05-21)
Field: Chemistry — Analytical Chemistry

Hyperspectral imaging and machine learning for soybean SDS severity classification Sudden Death Syndrome (SDS) in soybeans causes major yield losses, with no effective biological or chemical control. Accurate detection and severity assessment can help mitigate losses through preventive measures and the development of resistant varieties. Traditional severity assessment is labor-intensive and requires expertise, highlighting the need for automated and precise detection. This study aimed to develop an automated workflow to detect SDS and classify severity in soybean leaves. Hyperspectral reflectance images (395-1005 nm) were captured for 284 leaves (both healthy and SDS-affected) from both sides. Five distinct datasets were created using key spectral bands, and a pseudo-RGB dataset for model evaluation. A YOLO11 model was trained and fine-tuned to distinguish healthy leaves from diseased ones, achieving a mean average precision (mAP) of 97.10%. To further classify regions of abnormal leaves into categories (unaffected, mildly affected, severely affected, and dehydrated), both supervised and unsupervised methods were employed using reflectance and NDVI values. Among these methods, unsupervised k-means clustering using reflectance data demonstrated superior performance, achieving an overall accuracy of 84.24%, with 13% of dehydrated pixels misclassified as severe, 17% of mild pixels as unaffected, and 29% of unaffected pixels as mildly affected. Future work will seek to evaluate the progression of SDS throughout the growing season, which was a limitation of this study due to the late season data collection. The findings from this study could help farmers accurately assess SDS severity for better crop management and support breeding programs in developing SDS-resistant varieties, enhancing productivity and disease control. Hyperspectral imaging ; Artificial intelligence ; Computer science ; Pattern recognition (psychology) ; Machine learning Spectroscopy and Chemometric Analyses
Authors: Yung‐Chang Lin
Source:  (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Revealing the Structure of Energy Storage Interfaces: Metal Chlorides and Alkali Metal Intercalation in Bilayer Graphene <p xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" class="first" dir="auto" id="d19697e48">The intercalation of metal species within bilayer graphene (BLG) has attracted considerable interest for its potential to fine-tune electronic, magnetic, and optical properties, making it a promising approach for energy storage and other advanced applications. Achieving precise control and understanding of the intercalation process at the atomic level is essential for optimizing the performance and stability of graphene-based materials. In this study, we employ high-resolution scanning transmission electron microscopy (STEM) to investigate the atomic structure of a series of metal chlorides (AlCl <sub>3</sub>, CuCl <sub>2</sub>, MoCl <sub>5</sub>, FeCl <sub>3</sub>) and alkali metals (K, Rb, Cs) intercalated in BLG [ <a class="xref-link" href="#r1">1</a>– <a class="xref-link" href="#r5">5</a>]. <p xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" dir="auto" id="d19697e69">Our imaging reveals distinct atomic arrangements and bonding configurations, including variations in interlayer spacing and local atomic ordering, which depend strongly on the specific metal chloride or alkali metal intercalated. These findings highlight how different metal species interact uniquely with the graphene lattice, leading to varying degrees of lattice distortion and electron redistribution within the bilayer structure. In addition, we utilize spectroscopic techniques to analyze how these intercalated species impact the electronic properties of BLG, revealing key modifications in electronic band structure and charge density. <p xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" dir="auto" id="d19697e71">This study provides new insights into the structural and electronic changes induced by intercalation, contributing to the development of tailored graphene-based interfaces with enhanced energy storage capabilities. Our findings not only advance the fundamental understanding of metal intercalation in graphene but also offer pathways to engineer graphene interfaces for next-generation energy applications, from batteries to supercapacitors. Intercalation (chemistry) ; Alkali metal ; Materials science ; Graphene ; Bilayer ; Bilayer graphene ; Metal ; Energy storage ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Chemistry ; Membrane ; Metallurgy ; Organic chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Kamla D. Netam | Balaji R. Jagirdar
Source: Journal of Organometallic Chemistry (article, 2025-10-08)
Field: Chemistry — Inorganic Chemistry

Steric and electronic influence on the reactivity and hydrogenation catalytic activity of alkenes and alkynes using ruthenium pincer complexes Ruthenium ; Steric effects ; Ethylene ; Catalysis ; Pincer movement ; Electronic effect ; Reactivity (psychology) ; Ligand (biochemistry) ; Agostic interaction ; Alkyne Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion ; Nanomaterials for catalytic reactions
Authors: Pavel, Popov
Source: Zenodo (CERN European Organization for Nuclear Research) (preprint, 2025-12-12)
Field: Chemistry — Physical and Theoretical Chemistry

Grid Physics: A Computational Geometric Unification of Fundamental Interactions Title: Grid Physics: A Computational Geometric Unification of Fundamental Interactions Description: This paper presents the Grid Physics Framework (Version 2.0), a unified theory of fundamental physics derived from the principle of Computational Optimization (ΣK → min). By modeling the physical vacuum as a discrete Face-Centered Cubic (FCC) lattice, we demonstrate that physical laws are emergent protocols of a finite computational system. Key Findings: Voxel Topology: The 12 Gauge Bosons of the Standard Model (SU(3) × SU(2) × U(1)) are decoded as the geometric degrees of freedom of a single Cubic Voxel (8 Vertices + 3 Axes + 1 Center). Mass Spectrum: We introduce the Node Square Law (M ∝ N²), which derives the masses of leptons and quarks from integer lattice excitations with >99% accuracy (including the Top Quark). Nuclear Crystallography: The atomic nucleus is redefined not as a liquid drop, but as a crystal of Alpha-particles. The "Alpha-Ladder" model calculates binding energies for isotopes from Helium to Calcium with >99.9% precision. Universal Geometric Resonance (New in v2.0): We extend the lattice logic to Condensed Matter Physics, establishing a Universal Resonance Law (N / 137 ≈ k + 0.5). This formula successfully predicts the experimental "Magic Angles" for superconductivity in Twisted Bilayer Graphene (1.08°) and Molybdenum Disulfide (3.15°), and identifies a ballistic resonance diameter for Carbon Nanotubes (3.06 nm). Fundamental Constants: The Proton-to-Electron mass ratio (μ ≈ 6π⁵) and the Inverse Fine-Structure Constant (α⁻¹ ≈ 137.036) are derived analytically as geometric properties of the lattice interface, matching CODATA values to within 0.002%. The framework resolves the fine-tuning problem by replacing arbitrary parameters with rigorous integer geometry. Update Notes (v4.0): Reworked Argumentation Gauge theory ; Grid ; Lattice (music) ; Degrees of freedom (physics and chemistry) ; Eigenvalues and eigenvectors ; Translational symmetry ; Reciprocal lattice Advanced Physical and Chemical Molecular Interactions ; Origins and Evolution of Life ; Cold Fusion and Nuclear Reactions
Authors: Zhiqian Yao | Yuxin Liu | Yong Zhang | Xueru Zhang | Yunfei Wu | Jiewu Cui | Jiaheng Wang | Yan Wang | Jiaqing Liu | Yucheng Wu
Source: SSRN Electronic Journal (preprint, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Flaky Carbonyl Iron@Lanthanum-Doped Silica Core-Shell Composites: Synergistic Enhancement of Low-Frequency Electromagnetic Wave Absorption Materials science ; Microwave ; Absorption (acoustics) ; Metamaterial ; Carbonyl iron ; Impedance matching ; Dielectric ; Low frequency ; Optoelectronics ; Doping ; Dielectric loss ; Absorption band ; Electrical impedance ; Composite material ; Optics ; Telecommunications ; Computer science ; Electrical engineering Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications