jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: X. D. Li | Y Jia | Yi Peng | Jianyong Wei | Luying Song | Hang Sun | Ling Huang | Y. T. Li | Ruihan Xu | Chuxuan Xiao | Zhu Du | R X Yang | Jun He | Jianping Shi
Source: Advanced Materials (article, 2025-12-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Oxygen‐Self‐Supply Synthesis of Two‐Dimensional Fe <sub>2</sub> Mo <sub>3</sub> O <sub>8</sub> Semiconductor Single Crystal With Colossal Ferroelectric Polarization Developing ferroelectric semiconductors with colossal polarizations is crucial for fabricating large-capacity/high-density memory devices to meet the artificial intelligence demands. Although remarkable ferroelectric polarizations have been uncovered in perovskite-type oxides, the compatibility with electronic device scaling is becoming an insurmountable bottleneck. Here, we design an oxygen-self-supply chemical vapor deposition strategy to synthesize a 2D ferroelectric semiconductor single crystal of Fe<sub>2</sub>Mo<sub>3</sub>O<sub>8</sub>. The unique FeO<sub>4</sub> tetrahedral cage contributes to the long displacement of the iron ion and induces the generation of large polarization. In parallel, the oxygen-deficient growth environment and ultrathin thickness enable the generation of oxygen vacancies and lattice distortion, which further enhance the ferroelectric polarization. As expected, ultrahigh polarization value up to 230 µC/cm<sup>2</sup> and ultralong endurance (4 × 10<sup>9</sup> cycles) are achieved in 2D Fe<sub>2</sub>Mo<sub>3</sub>O<sub>8</sub>, ten to one hundred times larger than most 2D ferroelectric materials. Concurrently, ferroelectric tunnel junctions based on 2D Fe<sub>2</sub>Mo<sub>3</sub>O<sub>8</sub> exhibit high switching speed and long retention time. This work represents a substantial leap for developing new 2D ferroelectric semiconductors with giant polarizations, which will stimulate the further exploration of large-capacity/high-density memory chips to overcome von Neumann architecture bottlenecks. Ferroelectricity ; Semiconductor ; Polarization (electrochemistry) ; Single crystal ; Non-volatile memory ; Chemical vapor deposition ; Thin film ; Ferroelectric RAM Multiferroics and related materials ; Ferroelectric and Negative Capacitance Devices ; 2D Materials and Applications
Authors: Wenyi Lu | Huijin Xu | Guojun Yu
Source: Energy (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Advances in modelling and optimization of thermoelectric generators for harvesting waste heat in hybrid-powered marine vessels: From materials to energy management systems Multiphysics ; Adaptability ; Waste heat ; Workflow ; Efficient energy use ; Energy transformation ; Electricity generation ; Energy management ; Thermal energy ; Cogeneration Advanced Thermoelectric Materials and Devices ; Maritime Transport Emissions and Efficiency ; Hybrid Renewable Energy Systems
Authors: Rajib Nandi | M. A. Saeed | Chih‐Hsin Chen
Source: Sensors and Actuators B Chemical (article, 2025-09-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in liquid crystal-based sensors driven by nanotechnology: Mechanisms, materials, and emerging trends Nanotechnology ; Materials science Liquid Crystal Research Advancements ; Photonic Crystals and Applications ; Advanced Materials and Mechanics
Authors: Hwajun Lee | Soonhyoung Kwon | Alexander J. Hoffman | Jie Zhu | Mingrou Xie | Elton Pan | Vivek Vattipalli | Ahmad Moini | Anthony D. DeBellis | Elsa Olivetti | Rafael Gómez‐Bombarelli | Yuriy Román‐Leshkov
Source: ChemRxiv (preprint, 2025-09-17)
Field: Chemistry — Inorganic Chemistry

Data-Driven SDA Design and High-Throughput Experimentation for the Synthesis of High-Silica Small-Pore Zeolites Containing lta-cavities Microporous material ; Rational design ; Crystallization ; Selection (genetic algorithm) ; Catalysis ; Hydrothermal synthesis ; Network topology Zeolite Catalysis and Synthesis ; Metal-Organic Frameworks: Synthesis and Applications ; Catalysis for Biomass Conversion
Authors: Tao Zhang | Huiwen Zheng | Cao Zerong | Wenli Zhao | Liang Yurong
Source: Polymer Bulletin (article, 2025-04-12)
Field: Materials Science — Polymers and Plastics

Study on crystallization behavior of trans polyisoprene/polyethylene wax composite materials Wax ; Crystallization ; Polyethylene ; Composite number ; Materials science ; Composite material ; Polymer science ; Polymer chemistry ; Chemical engineering ; Engineering Polymer composites and self-healing ; Epoxy Resin Curing Processes ; Polymer crystallization and properties
Authors: Soma A. El Mogy | Khaled Chawraba
Source: Journal of Polymer Research (article, 2025-12-01)
Field: Materials Science — Polymers and Plastics

Rubber nanocomposites: a review of processing, thermo-mechanical properties, and industrial frontiers Natural rubber ; Nanocomposite ; Elastomer ; Composite number ; Thermoplastic elastomer ; Filler (materials) Polymer Nanocomposites and Properties ; Tribology and Wear Analysis ; Polymer crystallization and properties
Authors: Himendra Perera | Vahid Rahmanian | Mariam Sohail | Sahel Mohammadkhah | Amit Ahuja | Saad A. Khan
Source: Industrial & Engineering Chemistry Research (article, 2025-08-12)
Field: Materials Science — Polymers and Plastics

Using Supercritical CO<sub>2</sub> for Viscosity Reduction of Polymers: A Data-Driven Modeling Approach for Predicting the Diffusive Properties of Polystyrene Melt This study investigates the influence of supercritical CO2 on the rheological properties of polystyrene (PS) through a comprehensive rheological analysis. By generating time-dependent viscosity curves and the corresponding torque profiles, we accurately assess the progressive plasticization effects of CO2. Results show that CO2 can significantly lower the viscosity of PS, achieving up to a 96% reduction when transitioning from atmospheric to subcritical conditions and an additional 56% decrease when moving from subcritical to supercritical states. These findings highlight the effectiveness of supercritical CO2 in enhancing the processability of polymers through viscosity reduction. Furthermore, we develop a universal viscosity model that incorporates temperature, shear rate, and CO2 concentration effects for PS-CO2 melts. This model in combination with CO2 solubility models offers a robust framework for accurately predicting CO2 diffusion coefficients. This methodology not only deepens our understanding of CO2–PS interactions but also provides a reliable tool for future research and industrial applications, presenting a more efficient and environmentally friendly alternative to traditional methods. Supercritical fluid ; Polystyrene ; Viscosity ; Polymer ; Materials science ; Reduction (mathematics) ; Thermodynamics ; Chemical engineering ; Chemistry ; Physics ; Mathematics ; Composite material Polymer Foaming and Composites ; Phase Equilibria and Thermodynamics ; Polymer crystallization and properties
Authors: Sangeeta Patil | Dinesh Kumar Chelike
Source: Next Materials (article, 2025-09-04)
Field: Materials Science — Materials Chemistry

Green nanotechnology against toxic cadmium: Mechanisms, progress, and the path to future solutions Cadmium (Cd²⁺) contamination remains a critical environmental and public health challenge due to its high mobility, persistence, and severe toxicological effects, including oxidative stress, enzymatic inhibition, and organ bioaccumulation. Nanoadsorbents derived from sustainable resources have emerged as promising candidates for water remediation, offering high efficiency, tunable surface chemistry, and environmental compatibility. Despite significant progress, critical gaps remain unaddressed. In particular, the mechanisms governing regeneration stability of green nano-adsorbents are still poorly understood, which restricts their translation to large-scale applications. Moreover, systematic cross-comparisons of adsorption capacity, selectivity, and stability across material classes are limited, and existing reviews rarely establish a direct link between cadmium’s molecular toxicity mechanisms and adsorbent design strategies. To address these gaps, this review provides a mechanistic synthesis of advances in inorganic-nanoadsorbents including clay minerals, biomass-derived carbons, chitosan, agricultural waste-based nanomaterials, and green-synthesised metal oxide composites and evaluates how physicochemical factors such as surface area, porosity, functional group density, adsorption kinetics, and thermodynamics govern Cd²⁺ binding. A distinctive contribution of this work is the integration of cadmium’s toxicity pathways with the rational design of adsorbents, while also highlighting emerging domains such as biodegradable nanomaterials and AI-assisted material screening. By identifying unresolved challenges in scalability, regeneration, and long-term stability, this review not only deepens mechanistic understanding but also outlines practical technical pathways for developing next-generation, sustainable, and environmentally safe technologies for cadmium remediation. Nanotechnology ; Cadmium ; CADMIUM EXPOSURE ; Path (computing) ; Materials science ; Biochemical engineering ; Engineering ; Computer science ; Metallurgy Nanoparticles: synthesis and applications ; Extraction and Separation Processes ; Recycling and Waste Management Techniques
Authors: Huiming Chen | Jian Mei | Jie Chen | Taju Wu | Tao Ma | Yutian Su | Ninglin Zhou | Baohong Sun
Source: Acta Biomaterialia (review, 2025-10-10)
Field: Materials Science — Materials Chemistry

Innovative applications and synergistic strategies for covalent organic frameworks in multimodal phototherapy Stacking ; Limiting ; Covalent bond ; Design elements and principles ; Non-covalent interactions ; Photothermal therapy Covalent Organic Framework Applications ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: Seung‐Mo Kang | Hyungshin Kweon | S.K. Park | Byeong‐Soo Bae
Source:  (article, 2025-05-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Low Dk/Df Siloxane Hybrid Laminates for Advanced Packaging Substrate Advanced packaging technologies are irreplaceable in enabling next-generation semiconductor devices, driving advanced electronic devices like the Internet of Things (IoT), the metaverse, and artificial intelligence (AI). In particular, packaging substrates with low dielectric constant (Dk) and dissipation factor (Df) are essential for minimizing signal loss in high-speed devices. Recently, various manufacturers have introduced their own low Dk/Df materials for advanced packaging substrates, including liquid crystal polymer (LCP), modified polyimide (MPI), and modified polyphenylene ether (MPPE). However, the widespread adoption of these materials in integrated circuits (ICs) remains challenging due to issues such as anisotropic properties, high water absorption, and processing difficulties. Here, we present low Dk/Df siloxane hybrid laminates, consist of 3 types of siloxane hybrid materials as matrices (Singi G/C/F, G: extremely low Df, C: high processability, F: high flexibility) and two different type of glass fabric (Quartz/NE), for novel advanced packaging substrate materials of next generation semiconductor devices. The fabricated siloxane hybrid laminates (Q-Singi G/C/F, NE-Singi G/C/F) showed low Dk (Q-Singi G/C/F: 3.2/3.3/3.2, NE-Singi G/C/F: 3.4/3.5/3.4) and Df (Q-Singi G/C/F: 0.0014/0.0017/0.0018, NE-Singi G/C/F: 0.0022/0.0024/0.0025) at 10 GHz. Especially, Q/NE-Singi G and NE-Singi C showed low Dk (<tex>$&lt;3.3$</tex> and <tex>$&lt;3.6$</tex>) and Df (<tex>$&lt;0.0022$</tex> and <tex>$&lt;0.0035$</tex>) at wide GHz frequency ranges of 2.5-50 GHz. Moreover, our siloxane hybrid laminate showed low coefficient of thermal expansion (CTE) (<tex>$&lt;20 \text{ppm} /{ }^{\circ} \mathrm{C}$</tex>) with superior mechanical characteristics. Finally, microstrip test coupon was successfully demonstrated by using Q-Singi G based double sided copper clad laminates (CCLs) with Cu foil of low surface roughness. The coupon showed low transmission loss in wide frequency ranges from 0.1 to 40 GHz. Materials science ; Siloxane ; Substrate (aquarium) ; Composite material ; Optoelectronics ; Polymer ; Geology Copper Interconnects and Reliability ; Synthesis and properties of polymers ; Silicone and Siloxane Chemistry
Authors: Jiaqian Wang | Xiaojuan Hu | Ying Jiang | Wentao Yuan | Hangsheng Yang | Zhongkang Han | Yong Wang
Source: JACS Au (article, 2025-06-04)
Field: Materials Science — Materials Chemistry

Identifying Key Factors Influencing Advanced Hydrogen Evolution Reaction Catalysts Data-driven approaches are increasingly vital in the field of catalyst design, significantly accelerating catalyst development. However, the mechanisms and rules underlying these approaches often lack transparency, potentially leading to unreliable outcomes due to an insufficient understanding of the specific processes involved. Here, we developed a method that combines analytical learning with constrained data mining techniques to not only identify high-performance materials but also elucidate the optimization pathways for enhancing their performance. Using this method, we screened over a thousand potential catalysts, identifying top-performing single-atom catalysts for the hydrogen evolution reaction and mapping out optimization pathways to progressively improve performance. Notably, our findings suggest that decisions aimed at enhancing material performance, when based on tuning key factors identified from entire data sets, can be misleading. Instead, a more effective strategy is to make decisions through a systematic, step-by-step analysis of subgroup data sets, specifically focusing on subsets of high-performance materials that exhibit common characteristics. This approach enhances both the development of knowledge from data and the trustworthiness of the results, offering new insights for advancing data-driven approaches in the rational design of material properties. Key (lock) ; Catalysis ; Environmental science ; Chemistry ; Computer science ; Computer security ; Organic chemistry Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Hydrodesulfurization Studies
Authors: Mauro Cappelli | Francesca Ambi | Enrico Botta | J.R. Cruz | J.M. Díaz | Zhe Chen | Dawid Dwojewski | M. Giacchini | Víctor Gutiérrez | R. Lorenzo | Maurizio Montis | J. Sousa | Á. Ibarra
Source: Fusion Engineering and Design (article, 2025-07-18)
Field: Materials Science — Materials Chemistry

Advancements in central control for IFMIF-DONES: Integrating CODAC, MPS, and SCS into a unified control framework The International Fusion Materials Irradiation Facility-DEMO Oriented NEutron Source (IFMIF-DONES) represents a cutting-edge accelerator-based neutron source designed to produce high-energy neutrons for the irradiation of materials intended for use in DEMO, the future fusion reactor. Given the complexity of such a facility, a robust central control system is indispensable to ensure safe supervision and management of all operations. This paper provides an overview of recent advancements in the design of the Central Instrumentation and Control Systems (CICS) for IFMIF-DONES, focusing on the transition to the definition design phase. Employing a distributed approach, the architecture utilizes fast devices and dedicated networks for real-time communication among control units. This paper outlines the current status of the design for each CICS system and discusses existing and future plans for their integration into a unified control framework. The ongoing effort to integrate all CICS systems into a cohesive framework faces various challenges, such as data acquisition synchronization and interlock management. The integration of subsystems within CICS may be powerfully enhanced using artificial intelligence tools by enabling data-driven decision-making, proactive maintenance, adaptive control, and intelligent optimization. Computer science ; Control (management) ; Artificial intelligence Fusion materials and technologies ; Nuclear reactor physics and engineering ; Magnetic confinement fusion research
Authors: Jiaye Li | Xinyuan Zhang | Chunlei Shang | Xing Ran | Zhe Wang | Chengjiang Tang | Xiaohang Zhang | Mingshuo Nie | Wei Xu | Xin Lu
Source: Acta Metallurgica Sinica (English Letters) (article, 2025-11-11)
Field: Materials Science — Materials Chemistry

Reinforcement Learning in Materials Science: Recent Advances, Methodologies and Applications Reinforcement learning ; Process (computing) ; Key (lock) ; Iterative and incremental development ; Core (optical fiber) ; Property (philosophy) Machine Learning in Materials Science ; Topology Optimization in Engineering ; Model Reduction and Neural Networks
Authors: Pattwat Maneewattanapinyo | Chaowalit Monton | Jirapornchai Suksaeree
Source: Sustainable Chemistry for Climate Action (article, 2025-10-04)
Field: Materials Science — Biomaterials

Advancing climate action through agro-waste-based polymers for transdermal drug delivery As environmental concerns grow, the pharmaceutical industry is under increasing pressure to develop more sustainable materials, especially in drug delivery systems that rely heavily on synthetic polymers. This review looks at how polymers derived from agricultural waste—such as cellulose, chitosan, starch, pectin, lignin, and plant mucilage—can serve as eco-friendly alternatives in transdermal drug delivery. These natural materials offer properties like biocompatibility, flexibility, and the ability to control how drugs are released through the skin. We discuss how they are extracted, modified, and applied in different delivery formats like patches, films, hydrogels, and microneedles. Not only do these polymers perform well in terms of drug delivery, but they also break down naturally, pose low toxicity risks, and support goals related to circular economy and waste reduction. Case studies show that in many instances, they can compete with or even outperform traditional synthetic materials. The review also touches on real-world challenges—such as ensuring consistent quality, navigating regulations, and scaling up production—as well as future opportunities, including smart technologies and AI-assisted formulation. Repurposing agricultural by-products into functional pharmaceutical-grade materials offers a practical path toward greener, low-impact healthcare systems that balance therapeutic performance with environmental responsibility. Transdermal ; Repurposing ; Drug delivery ; Action (physics) ; Drug ; Drug repositioning ; Smart polymer ; Agriculture ; Sustainability biodegradable polymer synthesis and properties ; Advancements in Transdermal Drug Delivery ; Natural Fiber Reinforced Composites
Authors: Junying Zhang | Xiaoyu Wang | Jianing Cai | Xiaomei Ma | Ziyu Hu | Chengyou Lin | Song Bi | Jing Yu | Zhi-Ling Hou
Source: Journal of Advanced Ceramics (article, 2025-11-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multifunctional Bi <sub>2</sub> Se <sub>3</sub> ceramic nanosheets compatible variable capacitor and tunable EMI shielding The growing complexity of artificial intelligence-driven devices requires multifunctional materials that exhibit nonlinear responses to address key challenges in adaptive signal processing and energy-efficient computing. To meet these demands, hexagonal Bi<sub>2</sub>Se<sub>3</sub> ceramic is synthesized with controlled thicknesses via a chemical reduction synthesis method. The aggregated Bi<sub>2</sub>Se<sub>3</sub> nanosheets exhibit remarkable capacitance tunability under an applied bias voltage. Moreover, a significant enhancement in electromagnetic interference shielding performance was achieved under bias voltage, primarily attributed to improved electrical conductivity. At a bias voltage of 15 V and an optical power density of 200 mW·cm<sup>-2</sup>, the average SE<sub>T</sub> of Bi<sub>2</sub>Se<sub>3</sub> nanosheets increases to 62.8 dB from 23.9 dB. The collaborative combination of multiple superior functionalities within a single material platform with tunable capacitance, dynamically tunable EMI shielding and excellent light response endows Bi<sub>2</sub>Se<sub>3</sub> nanosheets with great potential for applications in intelligent storage, microelectronics and low-light photodetectors. Electromagnetic shielding ; EMI ; Electromagnetic interference ; Microelectronics ; Ceramic ; Capacitance ; Capacitor ; SIGNAL (programming language) Electromagnetic wave absorption materials ; Dielectric materials and actuators ; Dielectric properties of ceramics
Authors: Ömer Faruk Altundal | María Gálvez-Llompart | Ángel Cantı́n | José R. Lerma Valero | Susana Valencia | Fernando Rey | K. Christian Kemp | Suk Bong Hong | Frits Daeyaert | Germán Sastre
Source: Chemistry of Materials (article, 2025-12-09)
Field: Chemistry — Inorganic Chemistry

Lessons from Failed Attempts of Computationally Guided Synthesis of Aluminosilicate STF and IFR Zeolites in Hydroxide Media Although zeolites are primarily aluminosilicates in terms of chemical composition, not all zeotypes have been successfully synthesized as aluminosilicates to date. This study aims to contribute answering the long-standing question of why some zeotypes cannot, or have not yet been, synthesized as aluminosilicates, using a computational approach that combines big data, artificial intelligence, accurate descriptors, and an algorithm for designing quaternary ammonium organic structure-directing agents (OSDAs) that help lower the total energy of the zeolite-OSDA system. The use of the synthesis energy descriptor enables evaluation of the reaction energy from gel monomers to the final zeolite product, including the occluded OSDA, while also accounting for the energetic contributions of framework aluminum, representing an improvement over previous models based on pure silica. The focus is on STF and IFR zeolites, whose synthesis in hydroxide media typically results in products with very high silicon to aluminum ratios. More than 10000 OSDAs, either designed or retrieved from existing databases, were evaluated under conditions likely to favor the formation of STF or IFR, and the corresponding synthesis energies were calculated for STF, IFR, and approximately 20 other competing zeolite phases. The computational results show that AEI, CHA, and a few other zeolites are consistently more energetically favorable, regardless of the OSDA used. This is explained by the increasing stability of phases as the aluminum content increases. Experimental synthesis using a shortlist of OSDAs predicted to favor STF or IFR, in addition to AEI or CHA, did not yield the expected aluminosilicate products, and instead, amorphous materials were obtained in most cases. While further refinement of computational tools is needed to better reflect experimental synthesis conditions, the results provide valuable insight and justification for the difficulty of synthesizing aluminosilicate STF and IFR in hydroxide media. Aluminosilicate ; Zeolite ; Ammonium hydroxide ; Aluminium ; Hydroxide ; Yield (engineering) ; Amorphous solid ; Monomer Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Catalysis for Biomass Conversion
Authors: Gaoshuang Hu | Xiaodie Wang | Yuan Zhuang | Pingping Yu | Shan Gao | Jianxiong Hao
Source: Talanta (review, 2025-10-06)
Field: Materials Science — Materials Chemistry

Advances in the application of porous organic framework materials for adsorption and detection of mycotoxins and marine biotoxins Adsorption ; Mycotoxin ; Metal-organic framework ; Human health ; Food safety ; Marine toxin ; Porosity Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials