jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jikang Liu | Yue Wang | Guoli Tu
Source: ACS Omega (article, 2026-03-03)
Field: Materials Science — Polymers and Plastics

Research on the Synthesis and Characterization of Colorless Polyimide Based on a Novel Asymmetric Dianhydride Monomer As is known, colorless polyimide (CPI) is usually regarded as a substrate material for transparent flexible printed circuit boards (FPCB) as a high-performance optical-grade polymer film. The problem of CPI films being nonwetting with the metal interface in the preparation of transparent FPCB urgently needs to be solved. The 6FDA and 3FPODA monomers containing flexible structures were selected to prepare CPI films with TFDB by the copolymerization reaction for improving the optical properties. Two series of copolymerized CPI films (3F6FP/C-PI-<i>x</i> and 3F6FP/H-PI-<i>x</i>) with different ratios of dianhydride were prepared by using chemical imidization and thermal imidization methods. The solubility, optical properties, thermal properties, and mechanical properties of the two series of CPI films were characterized to explore the introduction of the 3FPODA monomer on the optical, thermal, and mechanical properties of CPI films. According to the research on the two series of copolymerized CPI films, it was found that the introduction of 3FPODA and 6FDA with a copolymerization method could improve the thermal and mechanical properties of optical-grade CPI films significantly. The optical, thermal, and mechanical properties of the CPI films prepared by the chemical imidization method are superior to those of the CPI films prepared by the thermal imidization method, which indicates that the chemical imidization method is more suitable for preparing such optical-grade CPI films. Based on the most excellent comprehensive performance, the optical indicators and other key properties of the 3F6F/C-PI-4 CPI film could meet the requirements for preparing transparent FPCB. Polyimide ; Monomer ; Copolymer ; Polymer ; Characterization (materials science) ; Substrate (aquarium) Synthesis and properties of polymers ; Nanomaterials and Printing Technologies ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Rostyslav O. Serha | Carsten Dubs | Andrii V. Chumak
Source: APL Materials (article, 2026-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic materials for quantum magnonics Quantum magnonics studies the quantum properties of magnons—the quanta of spin waves—and their application in quantum information processing. Progress in this field depends on identifying magnetic materials with characteristics tailored to the diverse requirements of magnonics and quantum magnonics. For single-magnon excitation, its control, hybrid coupling, and entanglement, the most critical property is the ability to support long magnon lifetimes. This perspective reviews established and emerging magnetic materials—including ferromagnetic metals, Heusler compounds, antiferromagnets, altermagnets, organic and 2D van der Waals magnets, hexaferrites, europium chalcogenides, and particularly yttrium iron garnet (YIG)—highlighting their key characteristics. YIG remains the benchmark, with bulk crystals supporting sub-microsecond Kittel-mode lifetimes and ultra-pure spheres achieving ∼18 μs for dipolar-exchange magnons at millikelvin temperatures. However, thin YIG films on gadolinium gallium garnet substrates suffer from severe lifetime reduction due to substrate-induced losses. In contrast, YIG films on a new lattice matched, diamagnetic alternative, yttrium scandium gallium/aluminum garnet, overcome these limitations and preserve low magnetic damping down to millikelvin temperatures. These advances provide a practical pathway toward ultra-long-living magnons in thin films, enabling scalable quantum magnonics with coherent transport, strong magnon–photon and magnon–qubit coupling, and integrated quantum networks. Magnonics ; Magnon ; Yttrium iron garnet ; Magnetism ; Quantum ; Ferromagnetism ; Europium ; Quantum technology Heusler alloys: electronic and magnetic properties ; Magnetic properties of thin films ; Multiferroics and related materials
Authors: Oana Elena Carp | Cristina Mariana Uritu | Adina Coroabǎ | Silviu Iulian Filipiuc | Conchi O. Ania | Narcisa Laura Marangoci | Mariana Pinteala
Source: International Journal of Molecular Sciences (article, 2026-01-31)
Field: Materials Science — Materials Chemistry

Carbon Dots Meet MRI: Metal Doping for a Smart Contrast Agent Design In clinical and preclinical magnetic resonance imaging (MRI), image quality is often limited by intrinsic tissue contrast, so paramagnetic agents are used to amplify relaxation differences and improve lesion detectability. Widely used gadolinium-based contrast agents present recognized drawbacks, stimulating interest in nanoscale platforms with tuneable magnetic and biological properties. This review provides a critical analysis on the use of metal-doped carbon nanodots (C-dots) as MRI contrast candidates. We briefly revisit MRI signal formation, spin-lattice (T1) and spin-spin (T2) relaxation, and relaxometric parameters r1 and r2 and outline how pulse-sequence choice favours T1- or T2-dominant agents. We compare approved small-molecule agents with nanostructured systems, highlighting unmet needs in safety, field-strength dependence, multimodality, and organ-specific imaging. A central focus is how nano- and molecular architectures of metal-doped carbon dots govern r1 and r2: the metal species and oxidation state, its location within the carbon matrix, surface chemistry and hydration, and the accessibility for proton and water exchange can shift performance toward T1 or T2. Engineered C-dots with controlled composition and metal dopants have proven to pair improved relaxivity with fluorescence, targeting ligands, or therapeutic payloads. Overall, metal-doped C-dots represent a flexible and potentially safer alternative to classical contrast agents; however, successful clinical translation and market uptake will still require standardized relaxometry at clinical field strengths, scalable and reproducible synthesis, and comprehensive in vivo safety and efficacy validation. Nanodot ; Magnetic resonance imaging ; Carbon fibers ; Nephrogenic systemic fibrosis ; Relaxometry ; Paramagnetism ; Molecular imaging ; Contrast (vision) Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Zi-Ying Li | Rui Feng | Zhi-Gang Li | Martin T. Dove | Shi-Shuang Huang | Fengxia wei | Caijuan Shi | Ze Chang | Neng Li | L. Zheng | X. Li | Wei Li | Xian-He Bu
Source: Nature Communications (article, 2026-01-22)
Field: Materials Science — Ceramics and Composites

Glass formation in hybrid metal halides via breaking molecular rotational order The critical progression of structural disorder, which governs the bulk glass-forming ability (GFA), can be elucidated as an ergodicity-breaking process. Understanding the atomic characteristics involved is imperative for establishing advanced glass design principles. However, conventional glasses present significant challenges due to their inherently complex and ambiguous disorder motifs, such as intricate and random atomic clusters or ring distributions. In this work, we synthesize a family of zero-dimensional hybrid metal halides with tunable short- to medium-range structural arrangements to form glasses with diverse GFAs. Through altering molecular shape and surface electrostatic potential of organic cations, their rotational order is able to be broken in a controlled manner. This leads to distinct phase space partitions of molecular movements, allowing for tunable GFAs. Our findings provide a fundamental design approach for synthesizing property-oriented glasses by controlling molecular rotational order, which can be applicable to a wide range of molecular glasses and amorphous solids. Halide ; Amorphous solid ; Amorphous metal ; Phase (matter) ; Molecular dynamics ; Range (aeronautics) ; Metal Glass properties and applications ; Perovskite Materials and Applications ; Phase-change materials and chalcogenides
Authors: Semih Doğruer | Ziya Merdan | Yasin Göktürk Yıldız
Source: Crystals (article, 2026-02-16)
Field: Materials Science — Materials Chemistry

Softening of Hard Magnetic Behavior and the Maximum Coercive Field in Zr2RhTl as Revealed by Effective Field Theory The present study investigated the magnetic hysteresis properties (coercivity and remanent magnetization) of the Zr2RhTl Heusler alloy using effective field theory (EFT). The study found that the coercive field of Zr2RhTl reaches a maximum at a specific critical temperature, Tch, at which the hardness of magnetic materials increases with the coercive field. This behavior is called the “critical hardness temperature (Tch)”. The hardness of the Zr2RhTl Heusler alloy increases with temperature until Tch, reaching a maximum at Tch. In contrast, it exhibits soft magnetic behavior at T &lt; Tch and T &gt; Tch. We suggest that this maximum hardness behavior can enable a new class of thermo-hardness sensors (THSs) and actuators (THAs). Coercivity ; Softening ; Alloy ; Hysteresis ; Magnetic field ; Magnetic hysteresis ; Field (mathematics) ; Remanence Shape Memory Alloy Transformations ; Heusler alloys: electronic and magnetic properties ; Magnetic Properties of Alloys
Authors: Talía Tene | Lаla Gahramanli | Mustafa Muradov | Aynur Mammadova | V. G. Khudaverdiev | Aida Azizova | Shafiga Alakbarova | Lala Isayeva | Rashida Huseynzade | Goncha Eyvazova | F. V. Hajiyeva | Stefano Bellucci | Cristian Vacacela Gómez | Haji Vahid Akhundzada | Rana Khankishiyeva
Source: Frontiers in Chemistry (article, 2026-01-02)
Field: Materials Science — Polymers and Plastics

The role of hydrogen-bonded interphase in achieving optimal performance of nitrile-butadiene rubber/graphene oxide nanocomposites Graphene oxide (GO) nanosheets (0.5-2.0 phr) were incorporated into nitrile-butadiene rubber (NBR) to clarify how interfacial chemistry and dispersion control macroscopic performance. GO was synthesized by a modified Hummers method, and different filler concentrations of NBR/GO were prepared via solution-coagulation followed by sulfur vulcanization. Transmission electron microscopy (TEM) and atomic force microscopy (AFM) confirmed multilayer GO and best sheet dispersion at 1 phr, whereas 2 phr showed initial aggregation. Fourier-transform infrared spectroscopy (FTIR) confirmed that the NBR backbone and nitrile groups remained intact, while weak GO-derived C-O-C/C-O bands appeared at higher loadings. The C≡N band at ∼2,237 cm<sup>-1</sup> preserved its position but showed a slight increase in bandwidth, consistent with the formation of a hydrogen-bonded interphase. X-ray diffraction (XRD) showed loss of GO periodicity in the rubber matrix. UV-Vis/Tauc analysis indicated a non-monotonic band gap (direct 3.01→3.13→3.11 eV; indirect 2.84→2.92→2.96 eV), arising from confinement at well-dispersed loadings and π-π stacking at higher loadings. Dielectric measurements (10<sup>2</sup>-10<sup>6</sup> Hz, 20 °C-100 °C) evidenced a more stable ε' for GO-filled samples, maximized at 1 phr. Mechanical testing showed simultaneous gains in tensile strength, tear resistance, and rebound elasticity at low GO loadings, while swelling and thermo-oxidative retention improved due to barrier effects and chain immobilization. Overall, ∼1 phr GO delivers the best structure-property balance, combining hydrogen-bond-mediated interfacial adhesion and optimal dispersion with stable dielectric behavior and reduced swelling/aging sensitivity; 2 phr yields the highest tensile value but also results in incipient aggregation and reduced dielectric stability. Graphene ; Nanocomposite ; Natural rubber ; Oxide ; Ultimate tensile strength ; Dispersion (optics) ; Dielectric ; Transmission electron microscopy ; Interphase Polymer Nanocomposites and Properties ; Graphene research and applications ; Dielectric materials and actuators
Authors: Bozheng Sun | Matthew A. Johnson | Marc H. Garner | Dominik Wendinger | Yanwen Yang | Lanting Jiang | Michael J. Ferguson | Rik R. Tykwinski
Source: ChemistryEurope (article, 2026-02-01)
Field: Chemistry — Organic Chemistry

Kinetic Stabilization of [ <i>n</i> ]Cumulenes by Endgroup Design The quest to model carbyne has been largely tackled through increasingly longer polyynes. [ n ]Cumulenes are an alternative class of molecules to model carbyne. The major difference between polyynes and cumulenes is that polyynes maintain strong bond length alternation (BLA) while cumulenes do not. The development of longer [ n ]cumulenes is challenged by decreased stability relative to oligoynes. This study compares the persistence of tetraaryl[ n ]cumulenes based on ortho ‐substituent(s) of aryl endgroups. A trend emerges in which bulkier ortho ‐substituents offer more persistent [ n ]cumulenes. The enhanced stability is consistent with a combination of steric shielding and disrupted electronic communication between the endgroups and cumulenic framework. Kinetically stabilized [ n ]cumulenes [ n ] ot Bu ( n = 5, 7, 9, 11, 13) are successfully synthesized. The longest derivatives, [11] ot Bu and [13] ot Bu , are studied in solution, and the electronic absorption properties are compared experimentally and computationally. The terminal alkylidene groups of [ n ]cumulenes have significant effects on the optical properties and result in an additional optical state, S 1 , relative to oligoynes. The S 1 state gives a lower fundamental optical energy gap ( E g ) in [ n ]cumulenes relative to oligoynes and decreases as the molecules transition from D 2 to D ∞h symmetry. The highest energy state ( S 4 ) is allowed by symmetry at any length and shows remarkable similarity to the analogous absorptions of polyynes. Carbyne ; Steric effects ; Molecule ; Kinetic energy ; Absorption (acoustics) ; Band gap ; Work (physics) ; Potential energy Cyclization and Aryne Chemistry ; Synthesis and Properties of Aromatic Compounds ; Fullerene Chemistry and Applications
Authors: Ziwei Yao | Brandon I. Morinaka
Source: Chemical Society Reviews (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Radical enzymatic peptide cyclization in natural product biosynthesis Cyclic peptides are privileged scaffolds in natural product biosynthesis and drug discovery, valued for their structural diversity, metabolic stability, and potent biological activities. Radical-mediated enzymatic cyclization has emerged as a powerful biosynthetic strategy for constructing structurally complex and bioactive peptide natural products. This review surveys the growing repertoire of radical enzymes, including radical <i>S</i>-adenosylmethionine (rSAM) enzymes, cytochrome P450s, BURP-domain oxidases, and additional enzyme families that catalyze site-selective C-C, C-S, C-N, and C-O bond formation during peptide macrocyclization. Emphasis is placed on radical-driven cyclization reactions involved in natural product biosynthesis, covering both RiPPs and NRPS pathways. Examples of cyclic peptide natural products include vancomycin, arylomicin, telocidin, streptide, and nosiheptide illustrate the mechanistic and structural diversity of radical peptide cyclases. Key emerging themes include a diverse array of side-chain crosslinking, 3-4 residue macrocycles, and unique forms of chirality. This review also discusses advances in genome mining and mechanistic enzymology that continue to reveal new radical transformations and unusual enzyme mechanisms. Collectively, these insights highlight the role of radical enzymology in expanding the structural space of peptide-based natural products and its potential for applications in synthetic biology, drug discovery, and peptide engineering. Natural product ; Peptide ; Biosynthesis ; Residue (chemistry) ; Enzyme ; Chemical space ; Cytochrome P450 ; Drug discovery Radical Photochemical Reactions ; Microbial Natural Products and Biosynthesis ; Metalloenzymes and iron-sulfur proteins
Authors: M. Ashraful Hasan | Faisal Islam Chowdhury | M. Kamrul Hossain | Ismail Rahman
Source: Discover Chemistry. (article, 2026-01-05)
Field: Materials Science — Materials Chemistry

First-principles insights into the structural, mechanical, optoelectronic, and thermodynamic properties of X2LiAlH6 (X = Na, K) for hydrogen storage application The potential of X2LiAlH6 (X = Na, K) double hydride perovskites for hydrogen storage and optoelectronic applications has been investigated using first-principles simulations based on density functional theory (DFT). Current work systematically explores the structural, electronic, optical, mechanical, thermodynamic, and hydrogen storage properties of these compounds. Structural optimization confirmed the cubic Fm-3m phase for both compounds at 0 K. Phonon dispersion calculations revealed that K2LiAlH6 is dynamically stable, whereas Na2LiAlH6 exhibits soft acoustic phonon modes near the Γ, L, and X points, indicating that its cubic configuration is not a true energy minimum and would relax into a lower-symmetry phase. Despite this instability, Na2LiAlH6 retains a high theoretical gravimetric hydrogen capacity (7.04 wt%), exceeding the DOE (U.S. Department of Energy) 2025 target and making it a promising candidate for further exploration of its stable ground-state phase. Electronic structure analysis revealed indirect semiconducting band gaps of 2.63 eV (Na2LiAlH6) and 2.49 eV (K2LiAlH6) using the GGA-PBE functional. While Heyd-Scuseria-Ernzerhof (HSE06) functional corrections may increase the absolute bandgap values, the fundamental transition characteristics confirm their potential for UV-optoelectronic applications. Optical property calculations show strong absorption in the near-UV region, supporting their suitability for UV photodetectors and related devices. Mechanical stability was validated through the Born criteria, with Na2LiAlH6 exhibiting higher stiffness and rigidity (C11 ≈ 72.7 GPa, Y ≈ 72.9 GPa) compared to K2LiAlH6 (C11 ≈ 44.5 GPa, Y ≈ 55.4 GPa), attributed to stronger Al–H bonding. Thermodynamic analyses demonstrated that Na2LiAlH6 possesses a higher Debye temperature (θᴰ ≈ 699 K) and melting point, indicative of stronger interatomic bonding than many reported hydride perovskites. Our findings underscore that A-site substitution (Na → K) plays a decisive role in balancing structural stability, mechanical robustness, and hydrogen-storage capacity. K2LiAlH6 emerges as the experimentally viable candidate due to its stable cubic phase, while Na2LiAlH6 remains attractive for its superior hydrogen density and thermal robustness, pending further investigation of its true ground state. Hydrogen storage ; Band gap ; Phonon ; Density functional theory ; Debye model ; Hydrogen ; Work (physics) ; Hydride ; Dispersion (optics) Hydrogen Storage and Materials ; Thermal Expansion and Ionic Conductivity ; Heusler alloys: electronic and magnetic properties
Authors: G. Udhaya Sankar | C. Ganesa Moorthy
Source: Selcuk University Journal of Engineering Sciences (article, 2026-01-02)
Field: Materials Science — Materials Chemistry

Analysis of P-Type Bi2Te3 Thermoelectric Cooler Device Performance Using Embedded model Thermoelectric Cooler Devices are solid state cooling devices widely used in electronics and precision thermal management in view of their compactness, reliability, and ability to provide accurate temperature control. This study presents a detailed performance analysis of a multistage P-type Bi₂Te₃ thermoelectric cooler using an embedded computational model developed in COMSOL Multiphysics. The model integrates thermoelectric governing equations with heat conduction effects to evaluate thermal and electrical performance under steady state operating conditions. A fully parameterized geometry is employed to investigate the influence of design dimensions, material selection, and operating current on thermoelectric cooling performance. Key performance indicators including maximum temperature difference, optimal current and voltage, electrical resistance, figure of merit, maximum heat load, and coefficient of performance (COP) are systematically evaluated through stationary optimization and parametric studies. The results demonstrate that a thermoelectric cooler achieves a maximum temperature difference of 100.3 K and a maximum heat load of 23.8 W at optimal current conditions. COP analysis reveals a strong dependence on temperature difference, with higher efficiency observed at lower thermal gradients. The findings validate the effectiveness of the embedded modeling approach for rapid and accurate performance prediction and provide valuable insights into the operational limits and efficiency of Bi₂Te₃ based thermoelectric cooling systems. The proposed methodology offers a robust framework for future optimization and extension to multistage thermoelectric cooler designs. Thermoelectric cooling ; Thermoelectric effect ; Coefficient of performance ; Thermoelectric generator ; Thermoelectric materials ; Parametric statistics ; Thermal ; Thermal conduction ; Operating temperature Advanced Thermoelectric Materials and Devices ; Greenhouse Technology and Climate Control ; Advanced Technologies in Various Fields
Authors: Luis Fernando Garrido-García | Ana Laura Pérez-Martínez | Alejandra López-Suárez | María del Pilar Aguilar-Del-Valle | Arturo Rodriguez-Gomez
Source: Frontiers in Physics (article, 2026-01-12)
Field: Materials Science — Materials Chemistry

Broad bandgap tuning and emission interplay between silicon quantum dots and defect states in RF-sputtered silicon oxynitride thin films Silicon oxynitride (SiON) thin films were grown by RF magnetron sputtering system (RF-MS) from both pure and silicon-enriched Si 3 N 4 targets, enabling systematic exploration of substrate temperature, RF power, and target composition. The resulting materials diverge from conventional stoichiometric SiON, forming silicon-rich, non-stoichiometric films whose optical and structural responses are strongly parameter-dependent. The effective optical bandgap was tuned across 2.17–3.09 eV, driven by the interplay of oxygen incorporation, defect states, and the emergence of embedded Si nanoclusters. The refractive index spanned 1.41–2.11, mapping a broad compositional continuum across the studied deposition conditions. Microstructural analyses by SEM, TEM, and diffraction revealed that silicon inserts promote localized crystallinity and the formation of quantum-dot-like domains. These features correlate with a sharp photoluminescence peak at 3.24 eV. Surface characterization by AFM showed that roughness is critically governed by RF power and temperature, with silicon inserts further amplifying nanoscale disorder. Film thickness scaled with power and time, exceeding 2 µm under high-power, high-temperature, insert-modified conditions. Together, these results demonstrate that careful tuning of sputtering parameters provides access to non-stoichiometric SiON thin films with controllable bandgap, refractive index, and microstructure, making them particularly promising for planar optical waveguide integration, near-UV/blue light-emitting layers, and (complementary metal–oxide–semiconductor) CMOS-compatible photonic and sensing platforms. Thin film ; Silicon ; Silicon oxynitride ; Sputter deposition ; Photoluminescence ; Sputtering ; Refractive index ; Band gap ; Substrate (aquarium) Silicon Nanostructures and Photoluminescence ; Semiconductor materials and devices ; Thin-Film Transistor Technologies