jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Vinh Khanh Ho | Tuan‐Khoa Nguyen | Sina Jamali | Nam‐Trung Nguyen
Source: Small (article, 2026-01-20)
Field: Materials Science — Materials Chemistry

Mesoporous Materials for Electrochemical Biosensors: From Broad Structure to Silica Film Mesoporous materials, characterized by tunable pore structures, large surface areas, and versatile surface properties, have become essential for advancing electrochemical biosensors. Their unique structural features enable efficient immobilization of biomolecules, enhancing electron transfer and amplifying signal transduction, which are vital for precise and selective detection of analytes within complex biological environments. This review provides a thorough discussion of scaffold-based mesoporous materials, including mesoporous silica, carbon, metals, metal oxides, metal-organic and covalent organic frameworks. We are focusing on their design strategies, synthesis techniques, and functional integration into biosensing systems. We emphasize recent innovations that leverage these materials for health monitoring and clinical diagnostics, targeting clinically relevant biomarkers such as glucose, nucleic acids, proteins, and metabolites linked to specific diseases. Moreover, we explore the role of mesoporous silica thin films in the operation of miniaturized biosensors, highlighting their potential in wearable and point-of-care applications. By systematically evaluating performance metrics and addressing reproducibility and scalability challenges, this review outlines crucial pathways for future research. Additionally, we discuss how advances in materials science, surface enhancement, and device integration are driving the development of next-generation real-time, non-invasive, and personalized diagnostic tools. Mesoporous material ; Mesoporous silica ; Biosensor ; Wearable computer ; Electrochemistry ; Mesoporous organosilica ; Surface modification ; Biomolecule Mesoporous Materials and Catalysis ; Electrochemical sensors and biosensors ; Advanced Nanomaterials in Catalysis
Authors: Hafiz Taimoor Ahmed Awan | Ahmed A. Aboalhassan | Muhammad Amirul Aizat Mohd Abdah | Muhammad Norhaffis Mustafa | Norshahirah M. Saidi | Rashmi Walvekar | Mohd Khalid
Source: Battery energy (article, 2026-01-30)
Field: Materials Science — Materials Chemistry

High‐Entropy 2D MXenes: A New Paradigm for Energy Storage ABSTRACT Two‐dimensional (2D) MXenes, a family of transition metal (TM) carbides and nitrides, have rapidly reshaped the landscape of electrochemical energy storage owing to their rich chemistry and outstanding charge‐storage performance. High‐entropy MXenes (HE‐MX), which integrate five or more near‐equimolar TMs within a single two‐dimensional (2D) lattice, extend this platform by introducing entropy‐stabilised multielement configurations inspired by high‐entropy alloys (HEAs). In these materials, configurational entropy, lattice distortion and “cocktail” effects cooperatively enhance electrochemical stability, activity and durability. This review explores the development of HE‐MX, tracing their evolution from the foundational concepts of HEA to sophisticated multi‐component architectures with adjustable structures and functional properties. It emphasises advancements in synthesis, such as the selective etching of complex precursors and in the management of lattice strain and surface terminations. By combining insights from in situ spectroscopy, multiscale simulations and electrochemical measurements, we clarify how features such as cation ordering, tailored surface terminations and entropy‐stabilised phases govern capacitive behaviour, ion transport kinetics and cycling robustness. Building on these entropy–structure–property relationships, this review outlines the design principles for atomic‐level control of the composition and interfaces and identifies strategies to improve stability under extreme operating conditions and enable scalable manufacturing. HE‐MX thus emerges as a versatile platform to alleviate the longstanding trade‐off between energy density and durability in next‐generation electrochemical energy storage systems. MXenes ; Energy storage ; Electrochemical energy storage ; Capacitive sensing ; Scalability ; Electrochemistry ; Lattice (music) ; Supercapacitor MXene and MAX Phase Materials ; 2D Materials and Applications ; Supercapacitor Materials and Fabrication
Authors: Fakhrul Hasan Bhuiyan | Hassan Harb | Rajeev S. Assary | Álvaro Vázquez‐Mayagoitia
Source: Digital Discovery (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Redox potential prediction of Fe( <scp>ii</scp> )/Fe( <scp>iii</scp> ) complexes: a density functional theory and graph neural network approach This work presents an integrated computational approach combining tight-binding and standard density functional theory with graph neural networks for accurate, high-throughput prediction of redox potentials in iron-based transition metal complexes. Graph theory ; Density functional theory ; Artificial neural network ; Graph ; Work (physics) ; Redox Metal-Catalyzed Oxygenation Mechanisms ; Free Radicals and Antioxidants ; Magnetism in coordination complexes
Authors: Guido Busca | Elena Spennati | Elisabetta Finocchio | Paola Riani | Gabriella Garbarino
Source: Catalysts (article, 2026-04-01)
Field: Materials Science — Materials Chemistry

Cobalt Oxides and Co-Al Mixed Oxides as Thermo-, Photo- and Electrocatalytic Materials: Properties and Perspectives of Industrial Applications The literature data on the solid-state and surface chemistry of cobalt and cobalt–aluminum oxide and hydroxide systems are reviewed. The actual and potential applications of these materials in the fields of catalysis, electrocatalysis, photocatalysis, adsorption and sensor technologies are reviewed. A comprehensive analysis of the peculiar redox and acid–base properties of these cobalt-based systems, both at the solid–gas and at the solid–water solution interface, is conducted. Evidence is provided for the exceptional versatility of these systems and on their relevant potential for optimal applications, in particular, in several catalytic total oxidation reactions, in N2O catalytic decomposition, in ammonia catalytic oxidation to NO, as electrocatalysts in water splitting reactions, as active elements in supercapacitors, and as precursors of cobalt metal-based systems. It is underlined that these systems could successfully substitute more critical and expensive noble metal-based systems in several technological fields. Catalysis ; Cobalt ; Cobalt oxide ; Redox ; Oxide ; Cobalt hydroxide ; Adsorption ; Ammonia Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Ammonia Synthesis and Nitrogen Reduction
Authors: Yan Ke | Ge Cao | Ningning Zhou | Yang Min | Tianhong Huang | Jiali Xiong | Zhujun Li | Chuhong Zhu
Source: Chemosensors (article, 2026-03-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrospun Nanofiber-Based SERS Substrates: Fabrication, Multiphasic Analysis, and Advanced Applications Surface-enhanced Raman scattering (SERS) technology, with its high sensitivity and fingerprinting capability, has shown broad application prospects in environmental monitoring, food safety, biomedicine, and other fields. Electrospinning technology can produce flexible nanofiber membranes with high specific surface area and three-dimensional porous structures, providing an ideal platform for constructing high-performance SERS substrates for multiphasic analysis. This review systematically summarizes the fabrication strategies of fiber-based SERS substrates by using electrospinning technology, classified from three perspectives: material composition (polymer-based, ceramic-based, carbon fiber-based, and metal-based), spatial configuration (inner, surface, and inner-surface), and temporal sequence of plasmonic nanostructure (pre-synthesis, pre-reduction, post-reduction, post-modification, etc.). Furthermore, the sampling methods and measurement approaches of such substrates in liquid-phase, solid-phase, and gas-phase detection are discussed, with a focus on their applications in environmental pollution monitoring, food safety inspection, microbial identification, and biomedical diagnostics. Finally, the comparison of different preparation strategies and potential future directions are discussed, which could offer helpful guidance for the design and application of high-performance flexible SERS substrates. Electrospinning ; Fabrication ; Raman scattering ; Nanofiber ; Nanostructure ; Surface plasmon resonance ; Surface-enhanced Raman spectroscopy Gold and Silver Nanoparticles Synthesis and Applications ; Electrospun Nanofibers in Biomedical Applications ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Mohammad Mazraeh | Amarajothi Dhakshinamoorthy | Ali Morsali | Hermenegildo Garcia
Source: Small (article, 2026-02-20)
Field: Chemistry — Inorganic Chemistry

Multi‐Metallic Organic Framework‐Based Composites as Electrocatalysts Metal-organic frameworks (MOFs) demonstrate that they can be effective materials as electrocatalysts due to their high specific surface area and high metal content. However, aggregation and poor electrical conductivity can sometimes still affect MOF electrocatalytic activity. Consequently, electrocatalytic activity was enhanced via various modifications, such as composite preparation, derivation techniques, and utilizing multiple metals in the MOFs. Recently, multi-metallic organic frameworks (MMOFs), and their derivatives have demonstrated premier activity as electrocatalysts. This review explored the role of materials, numerical investigation, and conceivable and reported challenges of engineering MMOFs and their derivations via diverse composites such as MMOF/ metal-based partner, MMOF/ carbon-based partner, and MMOF/ multiple-partner toward applications such as oxygen evolution reaction (OER), hydrogen evolution reaction (HER), urea oxidation reaction (UOR), oxygen reduction reaction (ORR), nitrogen reduction reaction (NRR), glucose oxidation reaction (GOR), methanol oxidation reaction (MOR), and other potential applications. Studies demonstrate the effectiveness and potential of engineered MMOF composites and their derivatives as electrocatalysts, attributed to multiple synergistic material interactions. Also, Future electrocatalyst candidates and improvements are investigated. Diverse challenges and new engineering tasks highlighted in the results confirm the continued viability of electrocatalysis. Therefore, adjusting the synthesis of MMOFs and inducing commensurate composites can boost their performance to a higher value superior to the solitary MMOF and composite counterparts. In total, MMOF/ metal-based partner composites, due to ample active sites and the effective synergistic effect between metal sites and MMOF/carbon-based partner composites, due to inducing conductivity and stability from carbon-based partner and active sites from MMOF, can be beneficial as electrocatalysts, which is reported most for OER. Also, MMOF/multiple-partner composites, due to their diverse synergy, can be helpful as electrocatalysts, especially in GOR. Electrocatalyst ; Methanol ; Composite number ; Oxygen evolution ; Conductivity ; Redox ; Metal-organic framework ; Catalysis ; Metal Metal-Organic Frameworks: Synthesis and Applications ; Electrocatalysts for Energy Conversion ; Covalent Organic Framework Applications
Authors: Pengfei Xu | Yang Bao | Changle Liu | Stefan Nastic | Biao Xu
Source: Nano Research (article, 2026-02-09)
Field: Materials Science — Materials Chemistry

Metal-organic frameworks and covalent-organic frameworks in thermal transport Understanding and modulating the inherently low thermal conductivity of crystalline porous frameworks is critical for their deployment in thermal-sensitive applications like gas storage, catalysis, and thermoelectrics. This comprehensive review systematically examines thermal transport fundamentals and recent progress in regulating thermal conductivity for both metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). We detail primary strategies centered on framework architecture design (optimizing density, connectivity, and topology), pore environment modification (via guest molecule inclusion), interfacial bonding enhancement (strengthening vibrational coupling), and composite integration (embedding conductive additives), all aimed at overcoming intrinsic phonon scattering bottlenecks imposed by high porosity and chemical heterogeneity. Key challenges include reconciling structural porosity with phonon transport efficiency, accurately characterizing complex systems, and minimizing interfacial thermal resistance. Addressing these requires synergistic advances in multiscale computational modeling, high-resolution characterization techniques, and targeted interfacial engineering. The review ultimately establishes essential structure-thermal property relationships, providing a foundational guide for the rational design of next-generation framework materials in thermal energy science and technology. Thermal conductivity ; Porosity ; Characterization (materials science) ; Phonon ; Thermal ; Porous medium ; Phonon scattering ; Electrical conductor Thermal properties of materials ; Covalent Organic Framework Applications ; Phase Change Materials Research
Authors: Kamil Kayode Katibi | Ibrahim Garba Shitu | Arun Kumar Shukla | Khalid M. Alotaibi | Rukayat Afolake Oladipupo | Haruna Muhammad
Source: physica status solidi (a) (article, 2026-02-04)
Field: Materials Science — Materials Chemistry

Exploring the Influence of Milling Time on the Structural, Elastic, Dielectric, Morphological, and Optical Properties of CuSe Nanoparticles Produced by Mechanical Alloying In this study, copper selenide (CuSe) nanoparticles were synthesized using high‐energy ball milling with systematically varied milling times to explore their effect on the structural, dielectric, magnetic, and optical properties of the material. X‐ray diffraction confirmed single‐phase hexagonal CuSe with decreasing crystallite size and increasing microstrain as milling progressed. Raman and electron spin resonance analyses show phonon confinement and defect‐induced magnetic suppression. Field emission scanning electron microscopy and transmission electron microscope revealed nanoscale agglomerates, while dielectric studies demonstrated size‐dependent permittivity and loss characteristics consistent with Maxwell–Wagner polarization. Optical analysis revealed a bandgap widening from 1.66 to 1.86 eV and a PL peak at 710 nm, confirming quantum confinement effects. Energy‐dispersive X‐ray spectroscopy (EDS) confirmed the purity and stoichiometry of the samples. Findings of the study establish clear structure–property relationships driven by milling‐induced microstructural evolution, demonstrating the tunability of CuSe nanoparticles for dielectric and optoelectronic applications. Crystallite ; Transmission electron microscopy ; Dielectric ; Raman spectroscopy ; Nanoparticle ; Scanning electron microscope ; Band gap ; Diffraction ; Quantum dot Quantum Dots Synthesis And Properties ; Copper-based nanomaterials and applications ; Chalcogenide Semiconductor Thin Films
Authors: Matteo Monai | Wiebke Albrecht | Achim Alkemper | Nongnuch Artrith | Andrea Baldi | Arik Beck | Ryan T. Berry | Ettore Bianco | Floor A. Brzesowsky | Qi Dong | Jimmy A. Faria Albanese | Renee R. Frontiera | Elaina Galvin | Erik C. Garnett | Nick Gerrits | Marek Grzelczak | Marc Herzog | F Hess | Alexander A. Kolganov | Wouter Koopman | Nikolay Kosinov | Sarah Lander | Enrico Lepre | D. Nicolette Maaskant | Guobin Miao | Aadesh Mohan Naik | Tzia Ming Onn | Andrew A. Peterson | Diana Piankova | Evgeny A. Pidko | Korawich Trangwachirachai | Floris van den Bosch | Di Xu | Begum Yilmaz | Johannes Zeininger | Esther Alarcón Lladó | Jörg Meyer | Paul J. Dauenhauer | Sven H. C. Askes
Source: ACS Catalysis (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis Traditional heterogeneous catalysis is constrained by kinetic and thermodynamic limits, such as the Sabatier principle and reaction equilibrium. Dynamic and resonant catalysts hold promise to overcome these limitations by actively oscillating a catalyst's physical or electronic structure at the time scale of the catalytic cycle, allowing programmable control over reaction pathways, and leading to improved rate and selectivity. External stimuli such as temperature swing, mechanical strain, electric charge, and light can perturb catalyst surfaces in different ways, altering adsorbate coverage, binding energies, and transition states beyond what steady-state catalysis allows. This work surveys the current state of dynamic catalysis, introduces the concept of <i>"stimulando"</i> characterization for observing transient dynamics, and outlines key modeling, mechanistic, and benchmarking strategies to advance the field toward improved chemical transformation. Catalysis ; Work (physics) ; Field (mathematics) ; Transient (computer programming) ; Characterization (materials science) ; Chemical process ; Scale (ratio) ; Benchmarking Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis ; Zeolite Catalysis and Synthesis
Authors: Gavin Wesley | Emma Swetlech | Chris Velasco | Alyssa Williams | Kyle Larsen | Subin Antony Jose | Pradeep L. Menezes
Source: Processes (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Catalytic Materials for Hydrogen Generation: Design, Properties, and Applications in Sustainable Energy Systems Catalytic materials are central to the advancement of hydrogen generation technologies, playing a pivotal role in enabling sustainable, carbon-neutral energy systems. Hydrogen can be produced via electrochemical water splitting, thermochemical reforming, or photocatalysis—each imposing unique performance requirements on catalysts in terms of activity, selectivity, stability, and efficiency. While traditional noble metals (e.g., platinum, ruthenium, iridium) provide benchmark catalytic activity, their widespread use is hindered by scarcity, high cost, and limited long-term durability. Consequently, researchers have increasingly focused on earth-abundant alternatives such as transition metals (Ni, Co, Fe, Mo), alloys, metal oxides, carbides, sulfides, nitrides, and carbon-based systems. Among these, two-dimensional materials, particularly the MXene family, have attracted significant attention due to their metallic conductivity, layered structure, and tunable surface chemistry. These features enable rapid charge transfer and abundant active sites, making MXenes and related nanostructured catalysts promising for both the Hydrogen Evolution Reaction (HER) and Oxygen Evolution Reaction (OER) across a wide range of electrochemical conditions. Parallel efforts have integrated novel semiconductors, plasmonic nanomaterials, and hybrid heterostructures to improve the efficiency of solar-to-hydrogen energy conversion. This paper reviews the main types of catalytic materials used in hydrogen production, explains their design strategies and structure–performance relationships, and discusses key engineering challenges such as integrating renewable energy sources, scaling up manufacturing, and ensuring long-term durability in real-world systems. Future research goals are also highlighted, including the development of affordable non-noble catalysts, enhancing catalyst stability through surface and defect engineering, and coupling hydrogen production with circular economy principles, all of which are essential to making hydrogen generation more efficient, scalable, and cost-effective as the world transitions to clean and sustainable energy. Hydrogen production ; Catalysis ; Water splitting ; Hydrogen economy ; Renewable energy ; MXenes ; Hydrogen ; Hydrogen fuel ; Oxygen evolution MXene and MAX Phase Materials ; Electrocatalysts for Energy Conversion ; Ammonia Synthesis and Nitrogen Reduction
Authors: Philipp M. Pflüger | Felix Katzenburg | Frederik Sandfort | Michael Teders | Adrián Gómez‐Suárez | Eric A. Standley | Matthew N. Hopkinson | Constantin G. Daniliuc | Andreas Heuer | Frank Glorius
Source: Angewandte Chemie International Edition (article, 2026-02-03)
Field: Chemistry — Organic Chemistry

A General Group Testing Strategy for Discovering Chemical Cooperativity The combinatorial explosion inherent to multi-component systems limits their experimental exploration and ultimately chemical discovery. Here, we introduce a statistics-based group-testing strategy, which we couple with luminescence quenching assays to efficiently identify cooperative molecular interactions. Utilizing the quenching of a photosensitizer as a quick readout for chemical activity, 4,950 substrate pairs were screened in only 504 experiments, enabled through a combinatorial design theory-based pooling approach and iterative deconvolution. Therefore, two algorithms-a greedy algorithm for group design and an iterative sectioning deconvolution method to resolve active pairs-were implemented. Fifteen cooperative pairs were identified, and the nature of their interactions and the resulting electronic perturbations were investigated. In a systematic follow-up screen, it was found that the identified active pairs exhibit high reactivity towards a broad group of reaction partners. One such pair led to the discovery of a bench-stable reagent, enabling efficient and regioselective trifluoromethylthiolation reactions. This work establishes a broadly applicable framework for accelerating the discovery of cooperative reactivity through optimized experimental designs. Pooling ; Quenching (fluorescence) ; Cooperativity ; Deconvolution ; Group (periodic table) ; Luminescence ; Combinatorial explosion Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Luminescence and Fluorescent Materials
Authors: Kun Zhao | Lanzhi Mu | Bingyuan Zeng | Mengcheng Zhan | Limei Liu | Jie Zhang | Qiuyue Ma | Liangcan He | Dong Fu
Source: NPG Asia Materials (article, 2026-03-11)
Field: Materials Science — Materials Chemistry

Smart catalytic sites meet future industry: What’s next? Abstract Based on the understanding of traditional catalysts, the dynamic evolution of the catalytic process has been deeply reviewed, leading to a new perspective of “ s mart catalytic site ”. It is worth noting that the similarity between the dynamic change of catalytic sites and the natural evolution law was revealed. The “ smartly catalytic coupling system ”, owing to the environmental intelligence-response feature, was innovatively proposed. Meanwhile, this paper points out that the absolute intelligent catalysis is absent; however, constructing an intelligent catalytic system may require the surface catalytic sites supported on a self-optimizing substrate, variable reaction conditions, and an AI-assisted advanced reaction platform. This dynamic smart catalytic system is expected to automatically and rapidly adjust to certain human demands, precisely and efficiently meeting the future development trends. Besides, completely understanding the inter-crossed relationship among the micro-catalytic site evolution process, natural species macro-adaptability, and the dialectic involving the dynamic unity of opposites principle, is significant for scientific researchers’ worldview development. Catalysis ; Dialectic ; Natural (archaeology) ; Process (computing) ; Perspective (graphical) ; Similarity (geometry) Machine Learning in Materials Science ; Nanomaterials for catalytic reactions ; Micro and Nano Robotics