jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kevin Kaufmann | Kenneth S. Vecchio
Source: Current Opinion in Solid State and Materials Science (article, 2024-09-01)
Field: Materials Science — Materials Chemistry

Autonomous materials research and design: Characterization • This work provides an overview of the technical and conceptual components related to materials characterization discussed during a workshop dedicated to challenging the way materials research is undertaken. • Within the emergent field of autonomous materials research and design (AMRAD), new materials development has accelerating and enabling new technologies and capabilities. • General considerations for developing autonomous characterization are presented along with related works and a discussion of their progress and shortcomings toward the AMRAD vision. New materials are a fundamental component of most major advancements in human history. The pivotal role materials play in the development of next generation technologies has spurred campaigns such as the Materials Genome Initiative (MGI) with the goal of reducing the time and cost to discover, characterize, and deploy advanced materials. As goals of the MGI have been met and new capabilities have emerged, a contemporary vision has taken shape within the scientific community whereby the exploration of materials space is dramatically accelerated by artificial intelligence agent(s) capable of performing research independently from humans and achieving a paradigm change in the field. As this idea comes to fruition and new materials are more rapidly computationally evaluated and synthesized nearly on demand, the rate at which a complete characterization of each candidate material’s properties can be completed and understood within the context of all other potential solutions will be the next bottleneck in a materials design campaign. This work provides an overview of the technical and conceptual components related to materials characterization discussed during a workshop dedicated to challenging the way materials research is thought of and performed within the emergent field of autonomous materials research and design (AMRAD). Furthermore, general considerations for developing autonomous characterization are presented along with related works and a discussion of their progress and shortcomings toward the AMRAD vision. Characterization (materials science) ; Systems engineering ; Computer science ; Engineering ; Materials science ; Nanotechnology Machine Learning in Materials Science ; Additive Manufacturing and 3D Printing Technologies ; Manufacturing Process and Optimization
Authors: Jianqiang Jin | Ludovic Cauvin | Balaji Raghavan | Piotr Breitkopf | Subhrajit Dutta | Manyu Xiao
Source: Computational Materials Science (article, 2024-01-30)
Field: Materials Science — Materials Chemistry

Towards a data-driven paradigm for characterizing plastic anisotropy using principal components analysis and manifold learning Texture (cosmology) ; Interpolation (computer graphics) ; Anisotropy ; Curse of dimensionality ; Dimensionality reduction ; Artificial intelligence ; Statistical physics ; Computer science ; Phenomenological model ; Manifold (fluid mechanics) ; Materials science ; Nonlinear dimensionality reduction ; Intrinsic dimension ; Physics ; Mechanical engineering ; Condensed matter physics ; Optics ; Engineering Machine Learning in Materials Science ; Model Reduction and Neural Networks ; Elasticity and Material Modeling
Authors: Sergio de-la-Huerta-Sainz | María Antonieta Escobedo-Monge | Pedro A. Marcos | José Antonio Esteban - Ollo | Laura Montejo-Gil | María Conde-Rioll | Mert Atilhan | Alfredo Bol | Santiago Aparício
Source: Sustainable Chemistry One World (article, 2024-12-25)
Field: Chemistry — Spectroscopy

Nature's tool kit: Designing biocompatible and affordable NADES for sustainable extraction of plant bioactives Biocompatible material ; Extraction (chemistry) ; Engineering ; Chemistry ; Biomedical engineering ; Chromatography Analytical Chemistry and Chromatography ; Seed and Plant Biochemistry ; Microbial Metabolites in Food Biotechnology
Authors: Jindong Liu
Source: Ceramics International (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

Molybdenum doped indium oxide thin films grown on mica substrates with high near-infrared transparency and electron mobility for flexible optoelectronic and spintronic applications Materials science ; Indium ; Indium tin oxide ; X-ray photoelectron spectroscopy ; Optoelectronics ; Thin film ; Doping ; Transparent conducting film ; Dopant ; Transmittance ; Pulsed laser deposition ; Spintronics ; Ferromagnetism ; Nanotechnology ; Chemical engineering ZnO doping and properties ; Ga2O3 and related materials ; Gas Sensing Nanomaterials and Sensors
Authors: Bo Mao | Pei Ding | Mengshuai Ren | Luyang Niu | Yuan Zhi | Xuan Jia | Zhihuan Wang | Kun Xu | Junqiao Wang
Source: Diamond and Related Materials (article, 2024-05-12)
Field: Materials Science — Materials Chemistry

Freestanding 3D graphite foam prepared by compressed growth template for superior electro-photo thermal performance Graphite ; Materials science ; Graphene ; Graphene foam ; Composite material ; Chemical vapor deposition ; Porosity ; Compressive strength ; Nanotechnology ; Graphene oxide paper Graphene research and applications ; Supercapacitor Materials and Fabrication ; Electromagnetic wave absorption materials
Authors: M. B. Etsuyankpa | Ibrahim Maina Hassan | Samaila Musa | J. T. Mathew | Elijah Yanda Shaba | Alison Andrew | A. I. Muhammad | Khan Muhammad | N. A. Jibrin | M. K. Abubakar | Jean‐Luc Maurice | Jamal Hussaini | A. Mamman
Source: Journal of applied science and environmental management (article, 2024-08-05)
Field: Materials Science — Materials Chemistry

Comprehensive Review of Recent Advances in Nanoparticle-Based Corrosion Inhibition Approaches Corrosion of metals is a persistent challenge in various industries, leading to significant economic losses and safety hazards. Conventional corrosion inhibitors often face limitations such as environmental toxicity, low efficiency, and short-term protection. Nanoparticle-based corrosion inhibitors have emerged as a promising alternative due to their unique properties and versatile applications. This paper provides a comprehensive review of the recent advances in nanoparticle-based corrosion inhibition strategies from 2015-2024 by harvesting data from secondary sources. The fundamental mechanisms underlying the corrosion inhibition by nanoparticles are discussed, including adsorption processes, passivation mechanisms, and synergistic effects with other inhibitors. Various types of nanoparticles, including metallic nanoparticles, metal oxide nanoparticles, polymer nanocomposites, carbon-based nanoparticles, and organic-inorganic hybrid nanoparticles, are explored for their corrosion inhibition potential. Furthermore, the applications of nanoparticle-based corrosion inhibitors in industries such as oil and gas, aerospace, automotive, marine, and infrastructure are highlighted. Despite significant progress, challenges such as stability, compatibility, and environmental concerns remain to be addressed. Future directions in nanoparticle-based corrosion inhibition research are also discussed, aiming to guide further developments in this promising field. Corrosion ; Nanoparticle ; Nanotechnology ; Materials science ; Metallurgy Corrosion Behavior and Inhibition
Authors: Kriti Kapil | Mingkang Sun | Ting‐Chih Lin | Hironobu Murata | Grzegorz Szczepaniak | Khidong Kim | Stephen DiLuzio | Jaepil Jeong | Mitchell Baumer | Stefan Bernhard | Tomasz Kowalewski | Krzysztof Matyjaszewski
Source: Polymer Chemistry (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Heterogenous catalysis for oxygen tolerant photoredox atom transfer radical polymerization and small-molecule dehalogenation Heterogeneous photocatalysts (PCs) have garnered attention for their sustainability and cost-effectiveness. Atom-transfer radical-polymerization ; Halogenation ; Chemistry ; Photochemistry ; Catalysis ; Polymerization ; Oxygen atom ; Oxygen ; Molecule ; Atom (system on chip) ; Photoredox catalysis ; Cobalt-mediated radical polymerization ; Radical polymerization ; Polymer chemistry ; Organic chemistry ; Photocatalysis ; Polymer ; Computer science Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications ; Photochromic and Fluorescence Chemistry
Authors: Yue Yuan | Shaocong Li | Li‐Na Zhu
Source: Royal Society Open Science (review, 2024-07-01)
Field: Chemistry — Inorganic Chemistry

The use of bimetallic metal–organic frameworks as restoration materials for pollutants removal from water environment Bimetallic metal-organic frameworks (BMOFs) are a class of functional porous materials constructed by coordination between nodes containing two different metal ions and organic ligands. Studies have shown that the catalytic activity of BMOFs is greatly improved owing to the adjustment of charge distribution and the increase of active sites as well as the synergistic effect between the bimetals, and the advantages of their large specific surface area, high porosity, unique structure and dispersed active centres make them available as important organic materials applied in the field of wastewater treatment. In this review, the preparation and construction methods for BMOFs in recent years are summarized, and we focus on their removal of different types of pollutants in the aqueous environment, including ions, dyes, pharmaceuticals or personal care products, phenolic compounds and microorganisms, as well as their corresponding removal mechanisms. In addition, we provide an outlook on their future opportunities and challenges in wastewater treatment. Bimetallic strip ; Pollutant ; Wastewater ; Porosity ; Materials science ; Metal ions in aqueous solution ; Sewage treatment ; Environmental science ; Metal ; Nanotechnology ; Environmental chemistry ; Chemistry ; Environmental engineering ; Composite material ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Adsorption and biosorption for pollutant removal
Authors: Avinash Singh | Pratibha Chahal | Ayushi Goel
Source: Innovation of Chemistry & Materials for Sustainability (article, 2024-10-28)
Field: Materials Science — Materials Chemistry

Recent Developments in Metal Chalcogenide Quantum Dots: From Material Design Strategies to Applications Nanotechnology advancements in recent times have led to the development of various metal chalcogenide quantum dots (QDs), including binary QDs (metal sulfide, selenide, and telluride) and alloyed QDs (cadmium selenium telluride). These QDs are valued for their distinctive optoelectronic and functional properties, including intrinsic (quantum confinement) and extrinsic (high surface area) effects influenced by size, shape, and surface characteristics. This review article mainly focuses on the most recent advancements in the synthesis, properties, and applications of metal chalcogenide QDs. We cover different synthesis approaches, including solvothermal, wet chemical, aqueous, photochemical, mechanochemical, and green synthesis, and explain how these techniques impact their properties. We then examine the diverse applications of QDs, including LEDs, biomedical, photovoltaics, neuromorphic, photodetector, photocatalysis, and sensing. Lastly, we explore the challenges and future opportunities for metal chalcogenide quantum dots. This article will provide a deeper understanding of the metal chalcogenide QDs. Moreover, it is beneficial for the researchers to make efficient QDs with various applications. Chalcogenide ; Quantum dot ; Nanotechnology ; Materials science ; Optoelectronics Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Nanocluster Synthesis and Applications
Authors: Marianela Gómez-Toledo | M. Elena Arroyo-de Dompablo
Source: Applied Sciences (article, 2024-07-27)
Field: Materials Science — Materials Chemistry

Ab Initio Investigation of Oxygen Ion Diffusion in the Layered Perovskite System YSr2Cu2FeO7+δ (0 &lt; δ &lt; 1) Extensive research on transition metal perovskite oxides as electrodes in solid oxide cells (SOC) has highlighted the potential ability of Fe-based perovskite oxides to catalyze oxygen reduction/evolution reactions (ORR/OER). The layered perovskite-type system YSr2Cu2FeO7+δ has been reported to possess attractive electrocatalytic properties. This work applies density functional theory (DFT) calculations to investigate oxygen ion diffusion in the YSr2Cu2FeO7+δ system. For δ = 0.5, it is found that in the most stable configuration, the oxygen vacancies in the FeO1+δ plane are arranged to form Fe ions in tetrahedral, square pyramid, and octahedral coordination. Ab initio molecular dynamics (AIMD) simulations for YSr2Cu2FeO7.5 (δ = 0.5) yield an oxygen ion diffusion coefficient of 1.28 × 10−7 cm2/s at 500 °C (Ea = 0.37 eV). Complementary results for YSr2Cu2FeO7.2 (δ = 0.2) and YSr2Cu2FeO7.75 (δ = 0.75) indicate that the oxygen diffusion occurs in the FeO1+δ plane, and depends on the oxygen vacancies distribution around the Fe centers. Perovskite (structure) ; Oxygen ; Density functional theory ; Ab initio ; Diffusion ; Octahedron ; Oxide ; Materials science ; Ion ; Ab initio quantum chemistry methods ; Chemistry ; Chemical physics ; Inorganic chemistry ; Physical chemistry ; Crystallography ; Computational chemistry ; Thermodynamics ; Molecule ; Metallurgy Advancements in Solid Oxide Fuel Cells ; Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics
Authors: Sana Jebali | Chadha Mejri | Wael Albouchi | Mahdi Meftah | Abderrazek Oueslati | Walid Oueslati
Source: Solids (article, 2024-09-18)
Field: Materials Science — Materials Chemistry

Uncovering the Possibilities of Ceramic Ba(1−x)CoxTiO3 Nanocrystals: Heightened Electrical and Dielectric Attributes The hydrothermal synthesis of Ba1−xCoxTiO3 (BCT) ceramic nanocrystals across varied substitution fractions (x = 0, …, 1) is the subject of this study. Hydrothermal synthesis is well known for producing high-purity and well-crystallized nanocrystals. A thorough examination is conducted to examine the effects on the structural and electrical properties of the resultant BCT nanocrystals by altering the cobalt substitution fraction. X-ray diffraction (XRD) is used to analyze the structure, while complex impedance spectroscopy (CIS) is used to analyze the electrical properties. As the cobalt content rises, XRD examination reveals a smooth transition from the ferroelectric BaTiO3 phase to the ferromagnetic CoTiO3 phase, offering extensive insights into the phase composition and crystallographic alterations. This phase shift is important because it creates new opportunities to adjust the properties of the material for particular uses. The electrical activity of BCT nanocrystals is clarified further by CIS measurements. A distribution of relaxation times, frequently linked to complex microstructures or heterogeneous materials, is suggested by the detected non-Debye relaxation. A thermally activated conduction process, in which higher temperatures promote the passage of charge carriers, is suggested by the temperature-dependent increase in conductivity. This behavior is strongly dependent on the cobalt content, suggesting that cobalt enhances electrical conductivity and crystallinity through a catalytic effect. A frequency-dependent dielectric constant that rises with temperature and cobalt content is shown by investigating the dielectric characteristics of BCT nanocrystals. Improved polarization mechanisms inside the material are suggested by this increase in dielectric constant, which may be the result of cobalt ion presence. With a thorough grasp of the dielectric behavior, the examination of the loss angle further validates the non-Debye relaxation process. Nanocrystal ; Materials science ; Ceramic ; Dielectric ; Engineering physics ; Nanotechnology ; Optoelectronics ; Composite material ; Physics Ferroelectric and Piezoelectric Materials ; Dielectric properties of ceramics ; Advancements in Battery Materials
Authors: Chang Song | Fangfang Wang | Xin Zhang | Yuanxia Ma | Yangyu Wu | Mingxia He | Xiangheng Niu | Mengmeng Sun
Source: Biosensors (article, 2024-04-06)
Field: Materials Science — Materials Chemistry

CoMnOx Nanoflower-Based Smartphone Sensing Platform and Virtual Reality Display for Colorimetric Detection of Ziram and Cu2+ Transition metal doping is an ideal strategy to construct multifunctional and efficient nanozymes for biosensing. In this work, a metal-doped CoMnO<sub>x</sub> nanozyme was designed and synthesized by hydrothermal reaction and high-temperature calcination. Based on its oxidase activity, an "on-off-on" smartphone sensing platform was established to detect ziram and Cu<sup>2+</sup>. The obtained flower-shaped CoMnO<sub>x</sub> could exhibit oxidase-, catalase-, and laccase-like activities. The oxidase activity mechanism of CoMnO<sub>x</sub> was deeply explored. O<sub>2</sub> molecules adsorbed on the surface of CoMnO<sub>x</sub> were activated to produce a large amount of O<sub>2</sub><sup>·-</sup>, and then, O<sub>2</sub><sup>·-</sup> could extract acidic hydrogen from TMB to produce blue oxTMB. Meanwhile, TMB was oxidized directly to the blue product oxTMB via the high redox ability of Co species. According to the excellent oxidase-like activity of CoMnO<sub>x</sub>, a versatile colorimetric detection platform for ziram and Cu<sup>2+</sup> was successfully constructed. The linear detection ranges for ziram and Cu<sup>2+</sup> were 5~280 μM and 80~360 μM, and the detection limits were 1.475 μM and 3.906 μM, respectively. In addition, a portable smartphone platform for ziram and Cu<sup>2+</sup> sensing was established for instant analysis, showing great application promise in the detection of real samples including environmental soil and water. Nanoflower ; Detection limit ; Chemistry ; Biosensor ; Materials science ; Nanotechnology ; Chemical engineering ; Chromatography ; Nanostructure Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors
Authors: E. Nkuna | M.R. Mhlongo | C. Dlamini | L.T. Melato | A. Bele | Vusani M. Maphiri
Source: Heliyon (article, 2024-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Impact of trivalent Yttrium on the structural and optical properties of CaAl2O4: New frontier in supercapacitor positive electrode In this work, trivalent Yttrium doped calcium aluminate (CaAl<sub>2</sub>O<sub>4</sub>:x% Y<sup>3+</sup>) were synthesized for the first time. Through Photoluminescence (PL) spectroscopy and Commission Internationale de l'Eclairage (CIE), CaAl<sub>2</sub>O<sub>4</sub>:0.1 % Y<sup>3+</sup> has demonstrated to be a potential high emitting phosphor material amongst other high concentration Y<sup>3+</sup> doped samples, emitting a vibrant blue - pink hue where others are emitting a transiting hue from blue to green within a white vertex region. FTIR and UV-Vis have confirmed the prepared material and the presence of Y dopant. The SEM showed insignificant morphological change and the presence of pores, which were quantified using BJH and DFT methods to be micro - and meso-pores. Moreover, CaAl<sub>2</sub>O<sub>4</sub> is also being reported as a positive electrode in supercapacitors for the first time. The analysis shows that it has superior performance within 1 M KOH electrolyte, with a specific capacity of 47.71 mA h g<sup>-1</sup> at 1 A g<sup>-1</sup> and a maximum power of 39.68 kW kg<sup>-1</sup>. Trasatti's method showed a surface (138 Fg<sup>-1</sup>) and diffusion (695 Fg<sup>-1</sup>) contribution ratio of 17:83 (%) of the total stored energy. It has a capacity retention and columbic efficiency of 100 % at the end of 10 000 cycles, which was achieved via utilization of all micropores reaction sites. The EIS showed a small solution resistance of 0.75 Ω, indicating high ionic conductivity and a phase angle of - 50 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>°</mml:mo></mml:mrow> </mml:math> . Thus, these results show that CaAl<sub>2</sub>O<sub>4</sub> is a potential candidate for photoluminescence and energy storage application. Photoluminescence ; Materials science ; Analytical Chemistry (journal) ; Supercapacitor ; Aluminate ; Electrode ; Chemical engineering ; Chemistry ; Optoelectronics ; Capacitance ; Composite material ; Physical chemistry Supercapacitor Materials and Fabrication ; Advanced Photocatalysis Techniques ; Catalytic Processes in Materials Science
Authors: Līva Dzene | Amira Doggaz | Patrick Dutournié | Sayako Inoué | M. Abdelmoula | Alexandra Jourdain | Jean‐Marc Le Meins | Jocelyne Brendlé | Christelle Martin | Nicolas Michau
Source: Clay Minerals (article, 2024-03-14)
Field: Materials Science — Biomaterials

Formation of iron-rich phyllosilicates in the FeO–SiO<sub>2</sub>–H<sub>2</sub>O system during hydrothermal synthesis as a function of pH Abstract The formation of iron-rich phyllosilicates can occur at different natural or engineered settings. In this study, the influence of pH in the hydrothermal synthesis of iron-rich phyllosilicates was investigated in the pH range 8.50–12.10 after the ageing of the precursor. The synthesized samples were characterized by powder X-ray diffraction, Raman and Mössbauer spectroscopies and transmission electron microscopy. Three domains of pH were identified, and these correlated with silica availability and its speciation in the solution. The formation of 1:1-type Fe III /Fe II phyllosilicate was observed between pH 9.67 and 10.75. Above pH 10.75, two types of phyllosilicate-like mineral phases were observed. In addition to 1:1-type Fe III /Fe II phyllosilicate, 2:1-type Fe III /Fe II phyllosilicate was observed. Below pH 9.67, mainly amorphous silica and iron oxides were observed. The findings show that pH governed the crystallinity and nature of the obtained phyllosilicate-like phases. Hydrothermal circulation ; Crystallinity ; Chemistry ; Raman spectroscopy ; Hydrothermal synthesis ; Transmission electron microscopy ; Mineral ; Amorphous solid ; Hematite ; Clay minerals ; Dissolution ; Mössbauer spectroscopy ; Inorganic chemistry ; Mineralogy ; Nuclear chemistry ; Crystallography ; Chemical engineering ; Materials science ; Nanotechnology ; Physical chemistry Clay minerals and soil interactions ; Arsenic contamination and mitigation ; Iron oxide chemistry and applications
Authors: Xuehua Zhang | Dechang Tang | Lin He | Yanwei Cao
Source: Chemistry - An Asian Journal (review, 2024-06-11)
Field: Materials Science — Materials Chemistry

Polyoxometalates Based Catalysts for Carbonylation Reactions: A Review As a type of diverse and structurally adjustable metal-oxo clusters, polyoxometalates (POMs) based materials have been extensively applied as a catalysis in various valuable reactions. This review summarized recent progress in the application of POMs-based catalysts for various carbonylation reactions including (1). Carbonylation of olefins, (2). Carbonylation of formaldehyde, (3). Carbonylation of methanol or dimethyl ether, (4). Oxidative carbonylation of methane, (5). Oxidative carbonylation of phenol and (6). Reductive carbonylation of nitrobenzene. A brief perspective on POMs-based catalysts for the carbonylation reactions is proposed. Carbonylation ; Catalysis ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Carbon monoxide Polyoxometalates: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Chemical Synthesis and Reactions
Authors: Elise Courtecuisse | Sylvain Bourasseau | Bjørn E. Christensen | Christophe Schatz
Source: Carbohydrate Polymers (article, 2024-08-05)
Field: Materials Science — Biomaterials

Synthesis of linear chitosan-block-dextran copolysaccharides with dihydrazide and dioxyamine linkers Chitosan ; Dextran ; Reactivity (psychology) ; Chemistry ; Mannose ; Polysaccharide ; In vitro ; Combinatorial chemistry ; Biochemistry Nanocomposite Films for Food Packaging ; Advanced Drug Delivery Systems ; Hydrogels: synthesis, properties, applications