jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Antonella Cornelio | Alessandra Zanoletti | Giusy Dativo | Roberto Fiorenza | Annalisa Zacco | Mohsin Muhyuddin | Carlo Santoro | Laura E. Depero | Elza Bontempi
Source: Green Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Performance and structural evolution of a new critical raw material-free catalyst, synthesized from spent lithium-ion batteries, for solar-driven CO <sub>2</sub> conversion A new critical raw material-free malate catalyst originating from spent lithium-ion batteries was prepared. It shows high catalytic performance for CO 2 conversion. Lithium (medication) ; Catalysis ; Ion ; Materials science ; Raw material ; Chemical engineering ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; CO2 Reduction Techniques and Catalysts
Authors: Yifu Ma | Jinrui Qian | Ping Zhu | Junyao Ding | Kai Sun | Huasong Gou | Rustam Abirov | Qiang Zhang
Source: Nanomaterials (article, 2025-05-21)
Field: Materials Science — Materials Chemistry

Carbon Nanosheets Grown via RF-PECVD on Graphite Films and Thermal Properties of Graphite Film/Aluminum Composites In this study, carbon nanosheets were deposited on the surface of graphite films for surface modification using radio frequency plasma enhanced chemical vapor deposition (RF-PECVD) method. The effects of catalyst addition and concentration, growth gas flow rate, and hydrogen plasma pretreatment on the size, morphology, and density of the deposited carbon nanosheets were investigated. These factors influence the deposition results by affecting the nucleation and growth processes of the carbon nanosheets, while the growth process affects their size. The surface morphology and distribution of the carbon nanosheets were characterized using scanning electron microscopy (SEM). Graphite film/aluminum composites were prepared using graphite films modified under different process conditions as reinforcements. The composite prepared with graphite films modified without catalysts showed significant improvement in thermal conductivity, achieving an xy-direction thermal conductivity of 705 W/(m·K) and a z-direction thermal conductivity of 14.8 W/(m·K), both of which are higher than those of unmodified graphite film/aluminum composites. X-ray diffraction (XRD) analysis was conducted to identify the phase composition of the resulting composites and confirm the structural integrity of the reinforcement after processing. Materials science ; Graphite ; Nucleation ; Composite material ; Plasma-enhanced chemical vapor deposition ; Scanning electron microscope ; Carbon fibers ; Thermal conductivity ; Composite number ; Chemical vapor deposition ; Nanotechnology ; Organic chemistry Graphene research and applications ; Thermal properties of materials ; Tribology and Wear Analysis
Authors: Nona Ghasemi Hamedani | Mina Behrouzi‐Fardmoghadam | Hossein Abedini | Naeimeh Bahri‐Laleh | Albert Poater
Source: Journal of Polymer Science (article, 2025-02-06)
Field: Chemistry — Organic Chemistry

Optimization of Starting Material Composition in the Synthesis of Highly Active Magnesium Ethoxide‐Supported Ziegler–Natta Catalysts for Propylene Polymerization ABSTRACT We aim to deepen our understanding of the structure‐performance relationship in Ziegler–Natta catalysts (ZNCs) for propylene polymerization. To this end, three different Mg(OEt)₂ supports were synthesized by reacting magnesium powder with varying amounts of MnCl₂ during the magnesium‐ethanol reaction stage. Despite similar XRD patterns among all obtained Mg(OEt) 2 samples, at an optimal MnCl 2 /Mg ratio of 2 g/g, well‐spherically shaped Mg(OEt) 2 particles with plate‐like building units were formed. The prepared support precursors were then used in ZNC synthesis with different TiCl₄/Mg(OEt)₂ ratios and internal donor types, and their behavior in propylene polymerization was thoroughly explored. The overall results indicated that the optimal Ti/Mg ratio is 8 mol/mol. Additionally, phthalate as an internal donor demonstrated higher activity compared to diethyl ether or succinate‐based internal donors. The kinetic curve of propylene uptake versus time in polymerization experiments with varying external donor content was mathematically modeled to evaluate changes in rate constants. The calculated rate constants showed that as the external donor content increases, k trH , k d , k iED and k tED all enhance, while k p decreases significantly due to the poisoning of active sites by the external donor. These findings highlight the critical role of the type and amount of catalyst components in achieving optimal performance. Natta ; Polymerization ; Catalysis ; Magnesium ; Polymer chemistry ; Chemistry ; Ziegler–Natta catalyst ; Organic chemistry ; Tenacity (mineralogy) ; Materials science ; Polymer ; Mineralogy Organometallic Complex Synthesis and Catalysis ; biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis
Authors: B. Yamunasree | Chandrakalavathi Thota | Ayush Pandey | Srinadh Choppara | Yuwaraj K. Kshetri | Soorathep Kheawhom | G. Murali | Moon‐Deock Kim | Insik In | M. Reddeppa
Source: Laser & Photonics Review (article, 2025-09-21)
Field: Materials Science — Materials Chemistry

MXene‐Integrated III‐Nitride Semiconductors: Recent Progress and Perspectives Abstract III‐nitride semiconductors, including GaN, InN, and AlN, are widely recognized for their tunable direct bandgaps, high electron mobility, thermal and chemical stability, and large breakdown voltages, properties that enable a broad range of electronic and optoelectronic applications. However, the performance of III‐nitride‐based devices is limited by challenges in lattice matching, defect formation, and suboptimal contact interfaces. Recently, two‐dimensional MXenes have emerged as promising materials to overcome these limitations due to their exceptional metallic conductivity, tunable work function, solution processability, and ability to form clean van der Waals interfaces. This review highlights recent advances in integrating MXenes with III‐nitrides to improve device functionalities. Their roles as transparent electrodes, growth templates for nanostructures, and interfacial layers that suppress defect states and enhance charge transport, are discussed. Furthermore, the fundamental mechanisms underlying MXene/III‐nitride heterostructures are analyzed, their applications across photodetectors, light‐emitting diodes, power electronics, gas sensors, and photoelectrochemical water splitting are explored, and key challenges hindering commercial adoption are identified. Finally, future research directions are proposed to harness the full potential of MXene‐III‐nitride hybrid systems. MXenes ; Heterojunction ; van der Waals force ; Electronics ; Key (lock) MXene and MAX Phase Materials ; 2D Materials and Applications ; Ferroelectric and Negative Capacitance Devices
Authors: Lingjun Pei | Xiaoyu Liu | Xihong He | Wenfeng Li | Dongfeng Sun | Huidong Xie | Hu Liu
Source: AIChE Journal (article, 2025-01-27)
Field: Materials Science — Materials Chemistry

Copper‐based high‐entropy oxide aerogel for chemoselective hydrogenation reaction Abstract High‐entropy oxide aerogels (HEOs), combining the advantages of polymetallic oxides and aerogels, are novel materials with great prospect for catalytic applications. However, the preparation of single‐phase HEOs remains a great challenge. Herein, we report a general strategy for the preparation of ultralight 3D porous HEOs by combining a gelation strategy and a high‐temperature calcination process. The resulting CuFeCoAgPdO x has the structural and morphological advantages of a HEO and an aerogel and exhibits excellent selectivity (100%), full conversion (&gt;99% yield) in the selective hydrogenation of 4‐nitrostyrene. In situ Fourier transform infrared spectroscopy (FT‐IR) and gas chromatography confirm that the synergistic effect of the HEOs can preferentially reduce the NO 2 group rather than the CC bonds in 4‐nitrostyrene. The synergistic effect of CuFeCoAgPdO x and the hydrogenation mechanism were revealed. This study provides a new idea for the design of efficient nitroaromatic hydrogenation catalysts. Aerogel ; Copper ; Copper oxide ; Oxide ; Chemical engineering ; Chemistry ; Materials science ; Inorganic chemistry ; Nanotechnology ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Yatong Wang | Geert Brocks | Ceren Tayran | Süleyman Er
Source: Physical Review Materials (article, 2025-02-25)
Field: Materials Science — Materials Chemistry

Two-dimensional TiNBr as photocatalyst for overall water splitting Two-dimensional (2D) Janus materials have gained increasing attention as water-splitting photocatalysts for hydrogen production. We use first-principles calculations to predict a stable 2D Janus $T\text{\ensuremath{-}}\mathrm{TiNBr}$ structure with strong near-ultraviolet sunlight absorption and band edges that align favorably with the water redox potentials for oxygen and hydrogen evolution. We show that the optical and electronic properties of $T\text{\ensuremath{-}}\mathrm{TiNBr}$ can be modulated to a certain extent by applying external uniaxial strain. Explicit calculations of the redox reactions reveal that solar-driven water splitting is viable at the N-side of $T\text{\ensuremath{-}}\mathrm{TiNBr}$ while the Br-side requires modifications such as vacancy creation, the application of an external potential, or adjustment of the pH conditions. Materials science ; Photocatalysis ; Water splitting ; Engineering physics ; Catalysis MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; 2D Materials and Applications
Authors: Mariela M. Nolasco | Pedro D. Vaz | Rafael A. F. Serrano | João T. Martins | Catarina F. Araújo | Paulo Ribeiro‐Claro
Source: CrystEngComm (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Computational spectroscopy for crystalline materials: from structure to properties Can computational spectroscopy predict the crystal structure of experimentally challenging systems? Materials science ; Spectroscopy ; Crystallography ; Chemistry ; Physics Crystal Structures and Properties ; X-ray Diffraction in Crystallography ; High-pressure geophysics and materials
Authors: Ahmed K. Dawood | Mohsen Ghali | Laura Micheli | Medhat H. Hashem | Clara Piccirillo
Source: Clean Technologies (article, 2025-08-01)
Field: Materials Science — Materials Chemistry

Aquatic Biomass-Based Carbon Dots: A Green Nanostructure for Marine Biosensing Applications Aquatic biomass—ranging from fish scales and crustacean shells to various algae species—offers an abundant, renewable source for carbon dot (CD) synthesis, aligning with circular economy principles. This review highlights recent studies for valorizing aquatic biomass into high-performance carbon-based nanomaterials—specifically aquatic biomass-based carbon dots (AB-CDs)—briefly summarizing green synthesis approaches (e.g., hydrothermal carbonization, pyrolysis, and microwave-assisted treatments) that minimize environmental impact. Subsequent sections highlight the varied applications of AB-CDs, particularly in biosensing (including the detection of marine biotoxins), environmental monitoring of water pollutants, and drug delivery systems. Physically AB-CDs show unique optical and physicochemical properties—tunable fluorescence, high quantum yields, enhanced sensitivity, selectivity, and surface bio-functionalization—that make them ideal for a wide array of applications. Overall, the discussion underlines the significance of this approach; indeed, transforming aquatic biomass into carbon dots can contribute to sustainable nanotechnology, offering eco-friendly solutions in sensing, environmental monitoring, and therapeutics. Finally, current challenges and future research directions are discussed to give a perspective of the potential of AB-CDs; the final aim is their integration into multifunctional, real-time monitoring and therapeutic systems—for sustainable nanotechnology innovations. Nanostructure ; Biomass (ecology) ; Nanotechnology ; Biosensor ; Carbon fibers ; Materials science ; Environmental science ; Ecology ; Biology Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Advanced Photocatalysis Techniques
Authors: Jhonny M. C. Cifuentes | Daniel A Amaya-García | Cristian Blanco‐Tirado | Marianny Y. Combariza
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Biomaterials

Exploring the dual role of TEMPO-oxidized cellulose nanofibers in CdSe quantum dot synthesis for biocomposites in metal ion chemosensing TEMPO-oxidized cellulose nanofibers (TOCNs) serve as green reducing/stabilizing agents for the rapid synthesis of CdSe quantum dot biocomposites, yielding uniform nanostructures and enabling sensitive and selective Cu 2+ detection in water. Nanofiber ; Quantum dot ; Cellulose ; Nanostructure ; Metal ; Ion Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications ; TiO2 Photocatalysis and Solar Cells
Authors: Ran Yang | Jing Kang | Zhiqiang Tian | Longfei Qie | ruixue wang
Source: Surfaces (article, 2025-12-26)
Field: Materials Science — Surfaces, Coatings and Films

Plasma Cleaning of Metal Surfaces: From Contaminant Removal to Surface Functionalization The cleanliness and functionalization of metal surfaces are critical factors to determining their performance in high-performance microelectronic packaging, reliable biomedical implants, advanced composite bonding, and other fields. Compared to traditional wet cleaning methods, plasma cleaning technology has emerged as a research hotspot in surface engineering due to its unique advantages, such as high efficiency and environmental friendliness. It operates under versatile conditions (e.g., power: tens of watts to several kilowatts; pressure: atmospheric to low vacuum; treatment time: seconds to minutes), enabling not only efficient contaminant removal but also targeted surface functionalization, including dramatically enhanced hydrophilicity (e.g., contact angles from &gt;80° to &lt;10°), significantly improved adhesion (e.g., up to 40% increase in bond strength), and modifications in surface roughness, corrosion resistance, and biocompatibility. This review systematically elaborates on the physical, chemical, and synergistic mechanisms of plasma cleaning technology as it acts on metal surfaces. It focuses on plasma cleaning applied to copper, aluminum, titanium and their respective alloys, as well as alloy steels, providing a detailed analysis of contaminant types, plasma cleaning methodologies, common challenges, surface functionalization responses, and subsequent functional applications. Furthermore, this review discusses the current challenges faced by plasma cleaning technology and offers perspectives on its future development directions. It aims to systematize the research progress in plasma cleaning of metal surfaces, thereby facilitating the transition of this technology towards large-scale industrial applications for metal surface functionalization. Surface modification ; Plasma cleaning ; Plasma ; Surface engineering ; Microelectronics ; Contact angle ; Titanium ; Adhesion Surface Modification and Superhydrophobicity ; Metal and Thin Film Mechanics ; Copper Interconnects and Reliability
Authors: Subham Preetam | Muhammad Fazle Rabbee | Richa Mishra | Shailendra Thapliyal | Ravi K. Deshwal | Sarvesh Rustagi | Archana Dashmana | Rajendran Govindarajan | Sumira Malik
Source: Nanoscale Advances (article, 2025-12-09)
Field: Materials Science — Biomaterials

Targeting brain tumours with precision: advances in magnetic nanoparticle therapy Brain cancer remains one of the most challenging malignancies due to the blood-brain barrier (BBB), limited drug penetration, and resistance to conventional therapies. Recent advancements in magnetic nanoparticles (MNPs) have opened new avenues for targeted and efficient brain cancer treatment. MNPs offer multifunctionality, including magnetic hyperthermia therapy, targeted drug delivery, and enhanced imaging <i>via</i> magnetic resonance imaging (MRI). This review explores the latest progress in MNP-based theranostics, highlighting their physicochemical properties, functionalization strategies, and mechanisms of action in brain cancer therapy. Additionally, we discuss novel approaches such as stimuli-responsive nanocarriers, BBB penetration techniques, and multifunctional hybrid nanoparticles. Furthermore, preclinical and clinical studies are reviewed to assess the current status and translational challenges. Despite promising outcomes, toxicity, biodistribution, and long-term biocompatibility remain key hurdles in clinical applications. Addressing these limitations will pave the way for personalized nanomedicine-based brain cancer treatment, optimizing therapeutic efficacy and patient outcomes. Cancer therapy ; Targeted drug delivery ; Magnetic nanoparticles ; Magnetic resonance imaging ; Magnetic hyperthermia ; Brain cancer ; Cancer ; Cancer Medicine ; Cancer treatment Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer, Hypoxia, and Metabolism
Authors: Carlos Calvo-Mola | Stéphanie Bruyère | V. Torres‐Costa | Silvère Barrat
Source: The Journal of Physical Chemistry C (article, 2025-08-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

In Situ TEM Crystallization of Amorphous SmNiO<sub>3</sub> Nanoparticles into the Perovskite Phase We report a direct in situ transmission electron microscopy (TEM) study of the crystallization of perovskite nickelate SmNiO3 from amorphous Sm–Ni–O nanoparticles synthesized via laser ablation in liquids. These nanoparticles, with a mean diameter of ∼30 nm, were generated by laser ablation of sputtered amorphous Sm–Ni–O films and deposited onto grids specially conceived to allow for in situ heating during TEM observations. In situ heating to 600 °C (ramp rate 600 °C/s, 30 s hold) within the TEM revealed the emergence of crystallized SmNiO3 domains, coexisting with secondary Sm2O3 or NiO phases in particles exhibiting off-stoichiometric Sm/Ni ratios. High-resolution TEM, fast Fourier transforms, and energy-dispersive X-ray spectroscopy demonstrated that initial chemical composition, rather than particle size, dictates phase evolution: near-stoichiometric particles form predominantly SmNiO3, whereas Sm- or Ni-rich particles undergo sequential crystallization of Sm2O3 or NiO followed by SmNiO3 nucleation. Core-loss electron energy-loss spectroscopy confirmed an order-of-magnitude increase in the Ni3+/Ni2+ ratio upon annealing, signifying perovskite formation alongside residual Ni2+ that can be attributed to oxygen vacancies or compositional inhomogeneities. A thermodynamic approach based on Gibbs free-energy landscapes rationalizes these pathways, and Gaussian fitting of SmNiO3 grain sizes versus Ni content reveals maximum domain growth at ideal 1:1 Sm/Ni stoichiometry. These findings elucidate nanoscale crystallization mechanisms in strongly correlated oxide nanoparticles and offer a new potential route to integrating this material in new functional device architectures. Crystallization ; In situ ; Materials science ; Amorphous solid ; Nanoparticle ; Phase (matter) ; Chemical engineering ; Perovskite (structure) ; Nanotechnology ; Crystallography ; Chemistry ; Engineering ; Organic chemistry Magnetic and transport properties of perovskites and related materials ; Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials
Authors: Bishnu Choudhary | Gia Ginella Carandang | Satoshi Yamagishi | Saki Tada | Chie Kawamura | Yasuko Yanagida | Tetsuya Yamada
Source: Microsystems & Nanoengineering (article, 2025-12-25)
Field: Materials Science — Materials Chemistry

A high-thermal-insulation and portable microreactor for integrating widely used planar-type SOFC and enabling handheld power generation The paper introduces a microreactor with high thermal insulation properties, which has been developed for integration with standard planar-type solid oxide fuel cells (SOFCs) in portable power generation applications. While planar SOFCs offer high efficiency and energy density, their use has been largely limited to stationary applications due to challenges in thermal management and slow start-up times. Our microreactor overcomes these barriers by providing an effective thermal insulation system, allowing SOFCs to operate efficiently in a compact, portable format. We designed a cantilevered structure using yttria-stabilized zirconia (YSZ) to minimize thermal conduction and combined it with a multilayer insulation (MLI) system to suppress thermal radiation loss. This flexible cantilevered structure prevents cracking under thermal stress and maintains high temperatures up to 700 °C, ensuring reliable operation. Additionally, the MLI system features an inherent safety mechanism: when the insulation structure is damaged by a drill, the loss of thermal insulation causes a rapid temperature drop, bringing the system below the hydrogen explosion threshold temperature within 5 minutes, thus preventing potential hazards. Our prototype successfully demonstrated handheld power generation using a button-type metal-supported SOFC, achieving a rapid start-up time of just 5 minutes and driving a motor. This breakthrough offers a new platform for miniaturized SOFC technology, bridging the gap between stationary and portable energy solutions. Microreactor ; Thermal insulation ; Thermal ; Cantilever ; Microelectromechanical systems ; Electricity generation ; Thermal conduction ; Solid oxide fuel cell ; Thermal energy Advancements in Solid Oxide Fuel Cells ; Thermal Expansion and Ionic Conductivity ; Fuel Cells and Related Materials
Authors: Verónica Jornet‐Mollá | Carlos J. Gómez‐García | Miquel J. Dolz-Lozano | Carlos Giménez‐Saiz | Francisco M. Romero
Source: Dalton Transactions (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis, structure and slow magnetic relaxation of lanthanoid coordination polymers based on ethynyl-bridged picolinate ligands A heteroditopic ligand (H<sub>2</sub>L1) containing picolinate and benzoate moieties segmented by a triple bond has been used in the preparation of a family of isostructural coordination polymers of the formula [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>][Ln((H<sub>2</sub>O)<sub>2</sub>L1)<sub>2</sub>] (Ln = Eu (1), Gd (2), Tb (3), Dy (4), Ho (5) and Er (6)). The single crystal structures show that these compounds crystallize in the monoclinic <i>I</i>2/<i>a</i> space group and form anionic layers with rhomboidal voids. AC magnetic susceptibility measurements show that compounds based on Kramers ions, such as the Gd (2), Dy (4) and Er (6) derivatives, present slow relaxation of magnetization (SRM) under an applied DC magnetic field. On the other hand, Tb (3) and Ho (5) compounds, based on non-Kramers ions, lack SRM properties. Compound 2 is one of the few reported Gd(III) compounds showing slow relaxation behaviour. Lanthanide ; Magnetic relaxation ; Chemistry ; Relaxation (psychology) ; Crystallography ; Polymer ; Coordination polymer ; Polymer chemistry ; Stereochemistry ; Combinatorial chemistry ; Crystal structure ; Ion ; Organic chemistry ; Physics ; Magnetization ; Magnetic field Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications