jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Brian H. Lee | Jameela Fatheema | Deji Akinwande | Wennie Wang
Source: npj 2D Materials and Applications (article, 2025-07-19)
Field: Materials Science — Materials Chemistry

Understanding and predicting trends in adsorption energetics on monolayer transition metal dichalcogenides Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as promising candidates for non-volatile resistive switching (NVRS) due to their atomic-scale thickness, enabling high-density integration and low energy consumption. This study explores how metal adatom adsorption and desorption modulate resistivity in these materials. By examining a range of transition-metal adsorbates on MoS2, MoSe2, WS2, and WSe2, we uncover material-specific trends in adsorption energies that correlate with electronic and atomic structure descriptors. These trends are captured by simple models that elucidate how adsorption influences the formation and dissolution of point defects, a key mechanism in NVRS. Our results highlight consistent periodic behavior across TMDs and demonstrate that adsorption energy is a useful predictor of switching energy. This understanding provides insight into atomic-scale switching phenomena and offers design principles for selecting TMD-adsorbate pairs to optimize NVRS device performance. Energetics ; Monolayer ; Transition metal ; Adsorption ; Chemical physics ; Materials science ; Nanotechnology ; Chemistry ; Physical chemistry ; Thermodynamics ; Physics ; Catalysis ; Organic chemistry 2D Materials and Applications ; Graphene research and applications ; MXene and MAX Phase Materials
Authors: Shamala Gowri Krishnan | Claire E. White | Kuo Zeng | Nandakumar Kalarikkal | Yong Sik Ok | Craig B. Arnold | Sabu Thomas | Ange Nzihou
Source: Fuel (review, 2025-04-14)
Field: Materials Science — Materials Chemistry

Recent developments on multi- versus single-metallic catalytic graphitisation of biocarbon: A review International audience Metal ; Catalysis ; Materials science ; Chemistry ; Metallurgy ; Organic chemistry Graphite, nuclear technology, radiation studies ; Advancements in Battery Materials ; Fiber-reinforced polymer composites
Authors: Parmeshwar Lal Meena | Ajay Kumar Surela | Manickam Selvaraj
Source: Polymers for Advanced Technologies (article, 2025-06-01)
Field: Materials Science — Polymers and Plastics

Recent Advances in Polyaniline Nanocomposites as Potential Adsorbents for Removal of Organic Water Toxicants ABSTRACT Water contamination has become a huge challenging task across the globe for the scientific community due to geogenic and anthropogenic processes. The infection of water resources is mainly caused by organic and inorganic toxicants. Consumption of contaminated water can cause serious health problems to living organisms, including human beings. With the progress of materials science and technological applications of various materials, the use of composite materials for water treatment has gained enormous attention. Composites of conducting polymers, chiefly polyaniline composites, received growing research interest in the field of water purification and are widely reported in the literature as adsorbents, catalysts, membranes, sensors, and so on, due to their better porosity, stability, surface modification, easy synthesis, and improvement of photo‐absorbance ability, presence of pollutant attracting functionalities, and easily introduction of new functional groups. Polyaniline nanocomposite materials can be produced using polyaniline as the matrix phase and various types of nanofillers, like metal‐based materials, biomaterials, carbon materials, organic materials, and so on, utilizing various synthesis procedures. Thus, polyaniline nanocomposites are a suitable and promising candidate for effectively subtracting toxic organic and inorganic water pollutants from wastewater and polluted water. The current review study presents recent advancements in polyaniline nanocomposites as potential adsorbents for effectively removing toxic organic water contaminants and adsorption mechanisms of pollutants, especially organic dyes, phenolic compounds, and other organic pollutants. Polyaniline ; Materials science ; Adsorption ; Nanocomposite ; Chemical engineering ; Nanotechnology ; Environmental chemistry ; Organic chemistry ; Composite material ; Polymer ; Chemistry Conducting polymers and applications ; Electrochemical sensors and biosensors ; Nanomaterials for catalytic reactions
Authors: Cheng Fang | Shun Dong | Xinghong Zhang | Yanchun Zhou
Source: Journal of Advanced Ceramics (article, 2025-10-13)
Field: Materials Science — Ceramics and Composites

Breaking the 3000 °C melting temperature barrier of oxide ceramics Oxide scales grown on carbides or borides based on ultrahigh thermal protection materials during service play crucial roles in the safe operation of systems in extreme environments, where advancing technologies are pushing temperature limits beyond 3000 °C, exceeding the melting points of all known nonradioactive oxides. Although cationic solid solutions offer a pathway to modulate melting behavior, conventional phase diagrams show that most solid solutions exhibit lower melting points than their parent components do. The mechanisms underlying melting point elevation in oxides have remained unclear. Here, we demonstrate a cationic design strategy for ultrahigh melting point oxides based on simultaneous control of the valence electron concentration, cation size, orbital overlap, coordination number and crystallographic symmetry. Using this approach, we developed a Ta-doped HfO<sub>2</sub> solid solution with a melting point of 3006 °C, the highest reported nonradioactive oxide, which represents an increase of nearly 200 °C over the parent oxide. This approach should be universally applicable to designing various ceramics with high or ultrahigh melting points. Melting point ; Ceramic ; Carbide ; Oxide ; Solid solution ; Cationic polymerization ; Structural material ; Phase (matter) Advanced ceramic materials synthesis
Authors: Mao-Lin Liao | Peng-Peng Liu | Jiacheng Yang | Ping-Gui Li | Liang‐Hua Zou
Source: Catalysts (article, 2025-04-30)
Field: Chemistry — Organic Chemistry

Recent Advances in the Synthesis of Quinolines: A Focus on Oxidative Annulation Strategies Quinoline, a heterocyclic scaffold of paramount importance in medicinal and industrial chemistry, has garnered significant attention due to its versatile applications. Traditional synthetic methods, dating back over a century, have evolved into innovative strategies leveraging catalytic C–H bond activation, transition-metal-free protocols, and photo-induced oxidative cyclization. Recent advancements highlight the synergistic roles of catalysts, oxidants, and solvents in enhancing molecular reactivity and reaction efficiency. This review systematically summarizes state-of-the-art oxidative annulation techniques for quinoline synthesis, emphasizing mechanistic insights and practical applications. Annulation ; Oxidative phosphorylation ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Biochemistry ; Catalysis Catalytic C–H Functionalization Methods ; Asymmetric Synthesis and Catalysis ; Radical Photochemical Reactions
Authors: Jannatul Ferdush | Md. Mahbubur Rahman | Md Mahadi Hassan Parvez | Md. Abdullah Al Mohotadi | Md. Nizam Uddin
Source: Nanomaterials (review, 2025-10-01)
Field: Materials Science — Materials Chemistry

Green-Synthesized Nanomaterials for Water Disinfection: Mechanisms, Efficacy, and Environmental Safety Safe drinking water is essential, yet millions of people remain exposed to contaminated supplies. Conventional treatments such as chlorination and UV light can kill microbes, but they also create harmful byproducts, face resistance issues, and are not always sustainable. Green-synthesized nanomaterials (GSNMs) are emerging as an eco-friendly alternative. Produced with plants, microbes, algae, and natural polymers, these materials merge nanotechnology with green chemistry. Among them, silver, zinc oxide, copper oxide, titanium dioxide, and graphene-based nanomaterials show strong antimicrobial effects by disrupting membranes, generating reactive oxygen species (ROS), and damaging genetic material. Compared with chemically made nanoparticles, GSNMs are often safer, cheaper, and more environmentally compatible. Nevertheless, concerns about toxicity, environmental fate, and large-scale use remain. This review highlights recent progress in GSNM synthesis, antimicrobial mechanisms, and safety considerations, highlighting their potential to enable sustainable water disinfection while identifying critical areas for further research. Nanomaterials ; Merge (version control) ; Environmental safety ; Human health ; Water disinfection ; Water safety Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications
Authors: Jadan Resnik Jaleel UC | Somashekara Bhat | Y.N. Sudhakar | Ankitha Rao | Vipin Cyriac | Shounak De
Source: Journal of Materials Science (article, 2025-06-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Laser-induced graphene electrode-based supercapacitors: insight on the influence of aqueous electrolytes on its energy storage potential Abstract Flexible supercapacitors based on laser-induced graphene (LIG) have emerged as a promising solution for scalable and cost-effective energy storage applications owing to their ease of fabrication and eco-friendly nature. However, the role of aqueous electrolytes in energy storage and conduction in thin-film electrodes has not yet been well explored. This study focused on optimizing the laser parameters, including the laser speed and power, to enhance the properties of LIG electrodes while investigating the influence of different aqueous electrolytes on electrochemical performance. The optimized laser parameters were a laser speed of 180 mm s −1 and power of 40 W. The optimized electrodes were characterized using Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, and Brunauer–Emmett–Teller surface parameter study. The characterization results revealed that the optimized LIG was highly defective, with an I D / I G ratio of 2.38, surface area of 25.146 m 2 g −1 , and pore diameter of 13.74 nm. Supercapacitors with H 2 SO 4 exhibited a superior areal capacitance (34 mF cm −2 ) because of their high ionic conductivity, redox activity, and efficient H⁺ ion transport (hydrated radius: 2.8 Å). Na 2 SO 4 and KOH showed lower capacitance (15 and 17 mF cm −2 ), limited by larger Na + and K + hydrated radii. The defect density increased fivefold compared to the benchmarks, enhancing the electrochemical performance eightfold. These findings underscore the role of laser parameter optimization in improving LIG-based energy-storage devices. Supercapacitor ; Materials science ; Graphene ; Energy storage ; Electrolyte ; Electrode ; Aqueous solution ; Laser ; Chemical engineering ; Nanotechnology ; Electrochemistry ; Optics ; Organic chemistry ; Physical chemistry ; Chemistry Supercapacitor Materials and Fabrication ; Electrochemical sensors and biosensors ; Electrocatalysts for Energy Conversion
Authors: Hongtao Zhou | Caisheng Li | Yuehong Zhang | TU Wei-ping | Qizhi Li | Yanhong Peng | Zejie Zhang | Zhihuan Zheng
Source: Journal of Applied Polymer Science (review, 2025-07-11)
Field: Materials Science — Polymers and Plastics

Nano‐<scp>SiO<sub>2</sub></scp>/<scp>PVC</scp> Composite Material: A Review on Modification, Preparation, Properties, and Applications ABSTRACT Polyvinyl chloride (PVC) is a widely used plastic product due to its advantages, such as low cost, high production volume, and broad application range. Extensive literature reports various modifications of PVC, such as polymerization and grafting; however, its filler modification has rarely been mentioned. Silica (SiO 2 ), owing to its excellent properties, including chemical stability and reinforcement, serves as an ideal filler for PVC modification. Most studies utilize unmodified nano‐SiO 2 , which tends to agglomerate due to its high surface energy and unique surface chemistry, reducing interfacial adhesion in composites. Therefore, modification of SiO 2 is essential. This review elaborates on physical and chemical modification strategies for nano‐SiO 2 , such as heat treatment, coupling agent modification, and plasma treatment. Modified nano‐SiO 2 enhances mechanical and thermal properties. The process characteristics, advantages, and disadvantages of preparing nano‐SiO 2 /PVC composites via blending, sol–gel, and in situ polymerization methods are discussed. Finally, the influence of nano‐SiO 2 on the thermal, mechanical, dielectric, and optical properties of PVC materials is analyzed, demonstrating improvements in properties such as degradation temperature and tensile strength. Additionally, challenges and future research directions for nano‐SiO 2 /PVC composites are presented. Composite number ; Materials science ; Composite material ; Nano- ; Chemical engineering ; Engineering Polymer Science and PVC ; Polymer Nanocomposites and Properties ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Jiaqi Qin | Xiaolong Wei | Yuxin Cui | Xianwen Wang
Source: Nano Research (article, 2025-07-28)
Field: Materials Science — Materials Chemistry

Biomimetic nanozymes in antibacterial applications Bacterial infections pose a serious threat to public health, causing millions of deaths annually. Antibiotic therapy remains the primary treatment; however, its overuse has led to the emergence of multidrug-resistant superbugs, which endanger both public health and the environment. Inspired by natural enzymes, researchers have developed nanozymes. These novel agents possess catalytic properties similar to those of natural enzymes and offer advantages such as low cost, high stability, durability, and adjustable size. These characteristics make nanozymes a promising approach for combating bacterial infections, particularly in addressing the challenges posed by antibiotic resistance. This review provides a comprehensive overview of recent advances in biomimetic nanozymes for antibacterial applications, focusing on their functional and structural biomimicry, as well as biomimetic modifications aimed at enhancing biocompatibility, and highlights future perspectives on their application in treating bacterial infections. Nanotechnology ; Materials science ; Chemistry Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanoparticles: synthesis and applications
Authors: Jian Cao | Ling Zhou | Fan Gan | Zhipeng You
Source: JOM (article, 2025-01-08)
Field: Chemistry — Inorganic Chemistry

Artificial Intelligence in Metal–Organic Frameworks from 2013 to 2024: A Bibliometric Analysis Abstract The purpose of this work is to analyze the development direction and prospects in the field of artificial intelligence (AI) in metal–organic frameworks (MOFs) and to provide reference information for related research and industry personnel. The scientific papers on AI in MOFs published in Web of Science database from 2013 to mid-2024 were collected. Bibliometric methods and knowledge mapping visualization software were used to analyze the papers. Both quantitative statistics and qualitative comparative analysis of global scientific papers were done in terms of annual paper trends, papers by major countries, authors, institutions, journals and research topics, respectively. The results showed that the number of published papers has increased in recent years. The top three productive countries are China, the USA and Germany, respectively. The top three productive institutions are Guangzhou University, Northwestern University and Chinese Academy of Sciences, respectively. Reference co-citation analysis classifies references into four clusters, and keyword co-occurrence analysis divides keywords into six clusters. Bibliometric and network analyses were utilized to examine the distribution of research outcomes, enabling scholars to discern the prevailing trends and focal points within the domain of AI-MOFs. Web of science ; China ; Bibliometrics ; Data science ; Field (mathematics) ; Library science ; Computer science ; Citation database ; Domain (mathematical analysis) ; Science Citation Index ; Visualization ; Citation analysis ; Regional science ; Citation ; Scopus ; Geography ; Political science ; Data mining ; MEDLINE ; Archaeology ; Mathematics Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Othman K. Hamaamin | Hewa O. Ghareeb | Sewara J. Mohammed
Source: Scientific Reports (article, 2025-08-07)
Field: Materials Science — Polymers and Plastics

Eco-friendly enhancement of optical and structural properties in polyvinyl alcohol films via eggplant peel dye doping This study presents an eco-friendly strategy to enhance the optical and structural properties of polyvinyl alcohol (PVA) films through doping with eggplant peel dye (EPPD), a natural pigment extracted from agricultural waste via a green aqueous synthesis (~ 33% yield from 30 g of peel). EPPD was uniformly dispersed in PVA films (PVA-D1, PVA-D2, PVA-D3) using an ultrasonic-assisted solution casting technique, with chitosan (CS) added to prevent fungal growth. Comprehensive characterization (Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), ultraviolet-visible spectroscopy (UV-Vis), and differential scanning calorimetry (DSC)) confirmed successful integration of EPPD, revealing its polyhydric alcohol content, amorphous nature, and uniform distribution within the polymer matrix. Doping with EPPD significantly reduced the optical band gap from 6.314 eV (pure PVA) to 1.8 eV (PVA-D3), introducing localized states that enhanced light absorption (peaking at 554 nm in PVA-D3), as supported by Tauc's model (transition type: direct allowed → direct forbidden) and dielectric loss analysis. Additionally, the refractive index increased from 1.165 to 1.27, while the optical dielectric constant (ε₁) improved from 1.366 to 1.609 due to enhanced charge carrier density. XRD analysis revealed a decrease in crystallinity from 30.50% (pure PVA) to 18.11% (PVA-D3), leading to a reduction in the glass transition temperature (from 30.5 °C to 25 °C) and melting temperature (from 240 °C to 194 °C). The Urbach energy (Eu), an indicator of structural disorder, increased from 0.43 eV (pure PVA) to 0.62 eV (PVA-D3), reflecting a higher density of localized states in the amorphous matrix and broader tail states in the band structure. These tunable optoelectronic properties position EPPD-doped PVA films as promising candidates for various applications, including UV-protective textiles, smart packaging, biomedical dressings, and energy-efficient optoelectronic devices. Materials science ; Polyvinyl alcohol ; Crystallinity ; Differential scanning calorimetry ; Fourier transform infrared spectroscopy ; Glass transition ; Dielectric ; Band gap ; Dielectric loss ; Scanning electron microscope ; Analytical Chemistry (journal) ; Chemical engineering ; Nuclear chemistry ; Polymer ; Composite material ; Chemistry ; Organic chemistry Polymer Nanocomposite Synthesis and Irradiation ; Nanocomposite Films for Food Packaging ; Polymer Science and PVC
Authors: Wei Guo | Han Su | Guoqiang Zhao | Hongge Pan | Wenping Sun
Source: Advanced Functional Materials (article, 2025-07-25)
Field: Materials Science — Materials Chemistry

The Principles Behind Different Forms of Strong Metal‐Support Interaction in Heterogeneous Catalysts Abstract Strong metal‐support interaction (SMSI) is a special form of interaction between metal species and supports in heterogeneous catalysts, and manifests as various types of geometric structure changes. These SMSI behaviors serve as effective strategies to precisely regulate the surface and interface structures of supported metals, and hence has stimulated extensive research interest on the construction and regulation of SMSI. While the nature of SMSI has long been regarded as the strong interfacial metallic bonds between the supported metals and the metal cations in supports, it remains elusive why such a universal principle results in diverse structural changes in different material systems. In this perspective, it is explored and summarized the SMSI behaviors across different material systems, aiming to provide a systematic and unified framework for understanding SMSI. It is suggested that the direct reduction of surface energy and the increase of entropy is the thermodynamic driving force of SMSI, and the kinetic factors, i.e. the diffusion rate of metal atoms, determine the specific form of SMSI. This perspective would provide deeper and more systematic insights into SMSI behaviors and is instrumental to the precise regulation of the surface and interface structures of supported metal catalysts. Materials science ; Catalysis ; Metal ; Nanotechnology ; Chemical engineering ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Nanomaterials for catalytic reactions
Authors: Elizabeth Vázquez-Rivas | Luis A. Desales-Guzmán | J. H. Pacheco‐Sánchez | Guillermina Burillo
Source: Gels (review, 2025-06-06)
Field: Materials Science — Biomaterials

Cellulose-Based Hybrid Hydrogels for Tissue Engineering Applications: A Sustainable Approach Cellulose is a sustainable biopolymer, being renewable and abundant, non-toxic, biodegradable, and easily functionalizable. However, the development of hydrogels for tissue engineering applications presents significant challenges that require interdisciplinary expertise, given the intricate and dynamic nature of the human body. This paper delves into current research focused on creating advanced cellulose-based hydrogels with tailored mechanical, biological, chemical, and surface properties. These hydrogels show promise in healing, regenerating, and even replacing human tissues and organs. The synthesis of these hydrogels employs a range of innovative techniques, including supramolecular chemistry, click chemistry, enzyme-induced crosslinking, ultrasound, photo radiation, high-energy ionizing radiation, 3D printing, and other emerging methods. In the realm of tissue engineering, various types of hydrogels are explored, such as stimuli-responsive, hybrid, injectable, bio-printed, electrospun, self-assembling, self-healing, drug-releasing, biodegradable, and interpenetrating network hydrogels. Moreover, these materials can be further enhanced by incorporating cell growth factors, biological molecules, or by loading them with cells or drugs. Looking ahead, future research aims to engineer and tailor hydrogels to meet specific needs. This includes exploring safer and more sustainable materials and synthesis techniques, identifying less invasive application methods, and translating these studies into practical applications. Self-healing hydrogels ; Tissue engineering ; Nanotechnology ; Materials science ; Biopolymer ; Cellulose ; Drug delivery ; Biomedical engineering ; Chemistry ; Engineering ; Polymer ; Organic chemistry ; Polymer chemistry Electrospun Nanofibers in Biomedical Applications ; Advanced Cellulose Research Studies ; 3D Printing in Biomedical Research