jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohammad Nur‐E‐Alam | Boon Kar Yap | Mohammad Khairul Basher | Mohammad Aminul Islam | M. Khalid Hossain | Manzoore Elahi M. Soudagar | Narottam Das | Mikhail Vasiliev | Tiong Sieh Kiong
Source: Journal of Science Advanced Materials and Devices (article, 2025-02-27)
Field: Materials Science — Polymers and Plastics

Multifunctional prospects of physical vapor-deposited silver-based metal-dielectric nanocomposite thin films Silver-based metallic thin-film nanostructured materials are extensively utilized in advanced technological applications, including sensors, energy-efficient coatings, antibacterial coatings, and optical filters. Physical vapor deposition has emerged as a significant technique for synthesizing silver (Ag)-based nanocomposites, enabling the modification of structural and optical properties of thin metallic films. This advancement facilitates material development and applications in electronics, catalysis, magnetics, optics, environmental and health sectors, and specialized optical coatings. Research has demonstrated the successful integration of various nanomaterials with Ag matrices, resulting in multifunctional thin-film systems. Ag-based nanocomposite thin films exhibit exceptional electrical conductivity, rendering them suitable for electronic and optoelectronic devices. Their unique optical properties enable applications in advanced photonics, spectroscopy, and imaging technologies. These films also demonstrate potential in catalysis, power conversion and storage, environmental remediation, and chemical sensing. The incorporation of antimicrobial agents presents opportunities for biomedical applications. This review aims to comprehensively examine the synthesis, characterization, and potential applications of physically vapor-deposited Ag-based nanocomposite thin films, highlighting their promising future in various fields. Materials science ; Nanocomposite ; Dielectric ; Metal ; Thin film ; Composite material ; Physical vapor deposition ; Chemical engineering ; Nanotechnology ; Optoelectronics ; Metallurgy Polymer Nanocomposite Synthesis and Irradiation ; Nanotechnology research and applications ; Carbon Nanotubes in Composites
Authors: V.T. Jeielayaganga | Rajendiran Keerthiga | M. Venkatesh
Source: Modern Electronic Materials (review, 2025-06-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent progress in sustainable energy storage using activated carbon from biowaste for high-performance supercapacitors: a review Carbon-based materials have emerged as attractive possibilities for supercapacitor applications due to their high electrical conductivity, huge surface area, and excellent stability. The potential of carbon materials, like carbon allotropes and activated carbon derived from biowaste, to enhance supercapacitor performance is examined in this paper. Activated carbon remains popular due to its high surface area and low cost, but improvements in CNTs and graphene provide enhanced conductivity and structural adaptability, increasing energy and power density. It also examines the creation of carbon composites, which combine the benefits of carbon and other materials to improve supercapacitor qualities. The main factors influencing supercapacitor performance are discussed, focusing on surface modification and nanotechnology, including electrode design, pore structure, and electrolyte compatibility. Recent study findings emphasize the relevance of sustainable synthesis processes and the materials' scalability for commercial applications. The analysis continues by identifying potential prospects in carbon-based supercapacitor research, including the incorporation of environmentally friendly material production methods and the improvement of cyclic stability for long-term use in energy storage devices. This analysis provides a solid foundation for future advancements in high-performance supercapacitor technology. Supercapacitor ; Activated carbon ; Energy storage ; Materials science ; Carbon fibers ; Sustainable energy ; Process engineering ; Nanotechnology ; Environmental science ; Waste management ; Renewable energy ; Electrical engineering ; Engineering ; Chemistry ; Composite material ; Capacitance ; Power (physics) ; Composite number ; Electrode ; Organic chemistry ; Physics Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation ; Electrospun Nanofibers in Biomedical Applications
Authors: Kisung Kang | Thomas A. R. Purcell | Christian Carbogno | Matthias Scheffler
Source: Physical Review Materials (article, 2025-06-06)
Field: Materials Science — Materials Chemistry

Accelerating the training and improving the reliability of machine-learned interatomic potentials for strongly anharmonic materials through active learning Molecular dynamics (MD) employing machine-learned interatomic potentials (MLIPs) serve as an efficient, urgently needed complement to molecular dynamics. By training these potentials on data generated from methods, their averaged predictions can exhibit comparable performance to methods at a fraction of the cost. However, insufficient training sets might lead to an improper description of the dynamics in strongly anharmonic materials because critical effects might be overlooked in relevant cases or only incorrectly captured or hallucinated by the MLIP, i.e., falsely predicted when they are not actually present. In this work, we show that an active learning scheme that combines MD with MLIPs (MLIP-MD) and uncertainty estimates can avoid such problematic predictions. In short, efficient MLIP-MD is used to explore configurational space quickly, whereby an acquisition function based on uncertainty estimates and energetic viability is employed to maximize the value of the newly generated data and to focus on the most unfamiliar but reasonably accessible regions of phase space. To verify our methodology, we screen over 112 materials and identify 10 examples experiencing the aforementioned problems. Using CuI and <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:msub><a:mi>AgGaSe</a:mi><a:mn>2</a:mn></a:msub></a:math> as archetypes for these problematic materials, we discuss the physical implications for strongly anharmonic effects and demonstrate how the developed active learning scheme can address these issues. Anharmonicity ; Materials science ; Reliability (semiconductor) ; Interatomic potential ; Training (meteorology) ; Engineering physics ; Condensed matter physics ; Molecular dynamics ; Computational chemistry ; Thermodynamics ; Physics Machine Learning in Materials Science ; Advanced Memory and Neural Computing ; Electronic and Structural Properties of Oxides
Authors: Huan Jiang | Sihang Zhang | Bei Li | Long Wu
Source: Foods (review, 2025-04-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in Multifunctional Nanoagents and SERS-Based Multimodal Sensing for Biotoxin in Foods Biotoxins, toxic substances produced by living organisms, are widely present in food and pose a major threat to human health. Traditional detection methods, such as gas chromatography-mass spectrometry (GC-MS) and enzyme-linked immunosorbent assay (ELISA), often suffer from limitations including complex sample preparation, high costs, and lengthy analysis times. In response, surface-enhanced Raman spectroscopy (SERS) has emerged as a highly sensitive and specific analytical tool for the detection of biotoxins. This review highlights the recent progress in multimodal detection technologies based on SERS, focusing on the design and classification of multimodal materials to optimize the construction of SERS substrates. The integration of SERS with other detection modalities, such as fluorescence, colorimetry, and electrochemistry, is discussed to enhance the accuracy and diversity of biotoxin detection. Finally, the review critically assesses the current challenges and future prospects of SERS multimodal detection technology, particularly in real-time food safety monitoring and on-site diagnostics, offering critical insights to guide future research directions. Human health ; Computer science ; Nanotechnology ; Modalities ; Food safety ; Biochemical engineering ; Environmental science ; Chemistry ; Materials science ; Engineering ; Medicine Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Identification and Quantification in Food
Authors: Zheao Huang | Dominik Eder
Source: Communications Chemistry (article, 2025-11-19)
Field: Chemistry — Inorganic Chemistry

Harnessing the structural evolution of metal–organic frameworks under electrocatalytic conditions Metal-organic frameworks (MOFs) are often dismissed in electrocatalysis due to their structural "instability" under operating conditions. In this Perspective, we reframe MOF evolution in electrocatalytic conditions as a controllable pathway for accessing highly active catalytic species, such as metal (oxy)hydroxides, surface defects, and open metal centers. We highlight how leveraging structural evolution, rather than complete degradation, can be harnessed through rational design and activation strategies. Operando/in-situ techniques are highlighted as essential tools for tracking in-situ structural dynamics and associated evolution mechanisms. By integrating these design, characterization, and modeling insights, this Perspective outlines a framework for turning structural evolution into a powerful tool for catalytic functionality. Electrocatalyst ; Rational design ; Cognitive reframing ; Perspective (graphical) ; Catalysis ; Oxygen evolution Metal-Organic Frameworks: Synthesis and Applications ; Electrocatalysts for Energy Conversion ; Advanced Nanomaterials in Catalysis
Authors: Enes Kılınç | Fatih Uysal | Mücahit Abdullah Sarı | Hüseyin Kurt | Erdal Çelik
Source: International Journal of Applied Ceramic Technology (article, 2025-02-21)
Field: Materials Science — Materials Chemistry

Sol–gel fabrication of thermoelectric P‐type Ca <sub>2.5</sub> Ag <sub>0.3</sub> Ce <sub>0.2</sub> Co <sub>4</sub> O <sub>9</sub> materials for aerospace applications Abstract The article provides a comprehensive description of the synthesis and characterization of Ca 2.5 Ag 0.3 Ce 0.2 Co 4 O 9 semiconducting ceramics for potential application in thermoelectric generators, particularly in the aerospace industry. These materials were synthesized using the sol–gel method, with distilled water serving as the solvent and citric acid monohydrate incorporated into expedited gel formation. The pH and turbidity values of solutions were monitored through a pH meter and turbidimeter, respectively. The produced xerogel was subjected to drying at 200°C for 2 h in an air atmosphere to remove residual moisture and volatile by‐products. The desiccated powders were then heat‐treated at 800°C for 2 h under ambient air conditions, yielding the final Ca 2.5 Ag 0.3 Ce 0.2 Co 4 O 9 compound. Thermal processing of the resulting pellets was carried out at 900°C for 24 h to fabricate bulk samples. Comprehensive characterization was performed to assess thermal, structural, microstructural, and thermoelectric behaviors via DTA‐TG, XRD, XPS, SEM, and TM machines. It was found that at 800°C, a maximum power factor of .24 mW/m·K 2 was achieved, derived from a Seebeck coefficient of 214.30 µV/K and electrical resistivity of 19.05 mΩ·cm at the same temperature. The synthesized ceramic materials exhibit promising thermoelectric efficiency, making them suitable for thermoelectric generator production. Materials science ; Fabrication ; Thermoelectric effect ; Sol-gel ; Thermoelectric materials ; Nanotechnology ; Mineralogy ; Chemical engineering ; Crystallography ; Analytical Chemistry (journal) ; Thermal conductivity ; Composite material ; Physics ; Chemistry Advanced Thermoelectric Materials and Devices ; Gas Sensing Nanomaterials and Sensors ; Transition Metal Oxide Nanomaterials
Authors: Carlos A. Campos‐Roldàn | Raphaël Chattot | Pierre‐Yves Blanchard | Deborah J. Jones | Sara Cavalière
Source: Physical Chemistry Chemical Physics (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Platinum-based nanoalloys for the oxygen reduction reaction: exposing the true active phase <i>via in situ/operando</i> techniques Platinum-based nanoalloys are efficient electrocatalysts for the oxygen reduction reaction (ORR). <i>In situ/operando</i> measurements have revealed that key properties including induced strain, chemical composition, coordination environment, evolve significantly during operation, which can hampertheir effective implementation in fuel cells. In fact, recent studies indicate that the impact of the early surface activation steps of Pt-based nanoalloys has been hitherto underestimated and is an important factor contributing to loss of their initial electroactivity. In this short perspective, we highlight the importance of <i>in situ/operando</i> characterization of Pt-based electrocatalysts during the initial operation steps in the ORR and discuss recent insights into their early degradation and evolution of their key properties during electrochemical characterization. In situ ; Platinum ; Oxygen reduction reaction ; Phase (matter) ; Oxygen reduction ; Reduction (mathematics) ; Oxygen ; Chemistry ; Combinatorial chemistry ; Chemical engineering ; Catalysis ; Electrode ; Electrochemistry ; Physical chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Advanced Nanomaterials in Catalysis
Authors: Sewara J. Mohammed | Ameer Mohammed | Khalid Abdalla | Darya S. Hamad | Fryad S. Mustafa | Dana A. Kader | Kawan F. Kayani | Kovan Khasraw Abdalla | Harez Rashid Ahmed | Shujahadeen B. Aziz
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in nitrogen-doped carbon dots for electrochemical energy storage: from synthesis to applications Comprehensive overview of nitrogen-doped carbon dots, linking synthesis strategies, structure–property relationships, and electrochemical applications for advanced energy storage systems. Carbon fibers ; Electrochemistry ; Electrochemical energy storage ; Energy storage ; Electrode ; Energy (signal processing) Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advancements in Battery Materials
Authors: Kanisorn Klangvijit | Khemjiranee Bowornthommatadsana | Mayuree Phonyiem Reilly | Teerayut Uwanno | Visittapong Yordsri | Michiko Obata | Masatsugu Fujishige | Kenji Takeuchi | Winadda Wongwiriyapan
Source: ACS Omega (article, 2025-02-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optimizing Electrochemical Performance: A Study of Aqueous Electrolytes with Hemp-Derived Activated Carbon for Supercapacitors This work investigates the synthesis and electrochemical performance of hemp-derived activated carbon (HAC) for supercapacitor electrode applications. HAC was prepared through NaOH chemical activation, and its electrochemical characteristics were evaluated using three different electrolytes: acidic (H<sub>2</sub>SO<sub>4</sub>), neutral (Na<sub>2</sub>SO<sub>4</sub>), and basic (KOH). The specific surface area of HAC was found to be exceptionally high, measuring 2612 m<sup>2</sup>/g, surpassing that of commercially available activated carbon (AC). Surface analysis revealed the presence of an oxygen functional group, which provided additional pseudocapacitive active sites. When 1 M H<sub>2</sub>SO<sub>4</sub> was employed as the electrolyte, HAC demonstrated a maximum specific capacitance of 594 F/g (302.4 F/cm<sup>3</sup>) at a current density of 0.3 A/g. Notably, the HAC electrode exhibited significantly higher energy density and power density, reaching values of 82 Wh/kg (135.7 mWh/cm<sup>3</sup>) and 188 W/kg (311 mW/cm<sup>3</sup>), respectively, when compared to commercial AC. These results highlight the potential of HAC as a cost-effective and high-performance electrode material, particularly when paired with H<sub>2</sub>SO<sub>4</sub> as the electrolyte due to their ideal micropore/mesopore ratio for H<sub>2</sub>SO<sub>4</sub> electrolyte access. Supercapacitor ; Activated carbon ; Electrolyte ; Electrochemistry ; Aqueous solution ; Materials science ; Chemical engineering ; Chemistry ; Electrode ; Engineering ; Adsorption ; Organic chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials
Authors: Vladіslav Sadykov | E. M. Sadovskaya | Nikita Eremeev | A.А. Kolchugin | Elena Filonova | Viktor Tsvinkinberg | Tatiana Zhulanova | E. Yu. Pikalova
Source: Chimica Techno Acta (article, 2025-06-23)
Field: Materials Science — Materials Chemistry

Novel materials based on Ruddlesden–Popper phases for solid oxide fuel cells and oxygen separation membranes: Fundamentals of oxygen transport In the field of modern hydrogen energy, obtaining pure hydrogen and syngas and then being able to use them for green energy production are significant problems. Developing solid oxide fuel cells (SOFC) and catalytic membranes for oxygen separation as well as materials for these devices is one of the most likely ways to solve these problems. First-order Ruddlesden–Popper phases are important materials for such devices. In this review, fundamentals of developing such materials for SOFC cathodes and oxygen separation membranes’ permselective layers based on research of their oxygen mobility and surface reactivity are presented. For Ruddlesden–Popper phases Ln2−xMxNiO4+δ, Ln2−xCaxNi1−yCuyO4+δ, and Ln2−xLn’xNiO4+δ (Ln = La, Pr, Nd; Ln’ = Pr, Nd, Sm, Eu, Gd; M = Ca, Sr, Ba) a high oxygen mobility is shown (D* ~ 10−7 cm2/s at 700 °C) by isotope exchange of oxygen techniques, being provided by the cooperative mechanism of oxygen migration involving both regular and highly-mobile interstitial oxygen. After optimization of composition and nanodomain structure of these materials, as cathodes of SOFC they provided a high power density, while for asymmetric supported oxygen separation membranes – a high oxygen permeability. Hence, the application of mixed ionic-electronic materials with high oxygen mobility and surface reactivity and optimized structural, morphological and textural properties is a promising approach in the design of SOFC cathodes and oxygen separation membranes. Oxygen ; Membrane ; Fuel cells ; Oxide ; Oxygen transport ; Materials science ; Chemical engineering ; Solid oxide fuel cell ; Separation (statistics) ; Chemistry ; Computer science ; Engineering ; Metallurgy ; Physical chemistry ; Organic chemistry ; Electrode Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Catalysis and Oxidation Reactions
Authors: Massimiliano Lupo Pasini | Jong Youl Choi | Kshitij Mehta | Pei Zhang | David W. Rogers | Jonghyun Bae | Khaled Z. Ibrahim | Ashwin M. Aji | Karl W. Schulz | Jordà Polo | Prasanna Balaprakash
Source: The Journal of Supercomputing (article, 2025-03-14)
Field: Materials Science — Materials Chemistry

Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multitask learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art US Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2000 GPUs on Perlmutter and 16,000 GPUs on Frontier. Computer science ; Trustworthiness ; Scalability ; Foundation (evidence) ; Graph ; Theoretical computer science ; Database ; Computer security Machine Learning in Materials Science ; Topic Modeling ; Fuel Cells and Related Materials
Authors: Khadija Siddique | Farrukh Azeem | Kotb A. Attia | Sabir Hussain | Muhammad Shahid | Sajid Fiaz | Omer Sadak | Yaser Hafez | Khaled Abdelaal | Sundaram Gunasekaran
Source: Scientific Reports (article, 2025-10-06)
Field: Materials Science — Materials Chemistry

Comparative efficacy of biologically and chemically synthesized nickel oxide nanoparticles for catalytic degradation of dyes and wastewater treatment Nickel oxide (NiO) nanoparticles (NPs) were synthesized using chemical and biological methods to evaluate their photocatalytic efficiency in degrading organic pollutants. The NiO-NPs were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, Fourier-transform infrared spectroscopy, and zeta potential analysis. Their photocatalytic activity was tested using methylene blue (MB) and 4-nitrophenol (4-NP) as model pollutants under visible light irradiation. Biosynthesized NiO-NPs exhibited higher photocatalytic activity and faster degradation rates. The biosynthesized NiO-NPs decolorized MB dye by 90% in 1 min, while chemically synthesized NPs required 5 min. Additionally, biosynthesized NiO-NPs degraded 4-NP more efficiently, achieving 65% decolorization in 25 min. The photocatalytic potential of the NiO-NPs was further demonstrated by the degradation of azo dyes, including reactive red-120, reactive black-5, brilliant yellow, and brilliant blue-R. In dye-loaded textile wastewater, NiO-NPs-B and NiO-NPs-C decolorized 84.8 ± 4.7% and 67.2 ± 3.4% of added RB5, and 70.3 ± 5.0% and 56.5 ± 2.3% of added RR120, respectively. Additionally, NiO-NPs-B removed 62.4 ± 3.7% of COD from wastewater spiked with RB5, while NiO-NPs-C removed 57.1 ± 3.3%. These findings suggest that biogenic NiO-NPs are highly efficient photocatalysts for organic pollutant degradation, offering a promising alternative to conventional chemical methods. Photocatalysis ; Methylene blue ; Degradation (telecommunications) ; Catalysis ; Zeta potential ; Wastewater ; Nanoparticle ; Nickel oxide Nanoparticles: synthesis and applications ; TiO2 Photocatalysis and Solar Cells ; Nanomaterials for catalytic reactions