jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jiaqu Zhang | Zexu Fan | Bo Li | Dengxun Ren | Mingzhen Xu
Source: Polymers (review, 2024-08-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Study on Structure–Function Integrated Polymer-Based Microwave-Absorption Composites This article provides an in-depth exploration of the current state of research in microwave-absorbing composite materials, juxtaposing the status quo of coating type and structurally reinforced resin-based composites, with a particular emphasis on the latter's structural and performance superiority. It succinctly elucidates the mechanisms of electromagnetic shielding, as well as the conditions and underlying principles that govern the absorption of microwaves by composite materials. The review continues by dissecting the strategies for enhancing the microwave-absorption capabilities of resin-based composites, including the classification of absorbents, absorbent selection, and an overview of structural design innovations in microwave-absorbing materials. Structural wave-absorbing composites are manufactured by combining different types of resin matrices, absorbers, reinforcing fibers and construction methods. The interactions between these components are scrutinized to reveal how each contributes to the overall performance of the composite. We spotlight the unique construction methods and the intricate relationship between structure and performance in structurally reinforced composites, offering insights into the optimization strategies for composite-material absorption characteristics. Concluding with a forward-looking perspective, the article contemplates the burgeoning potential and future applications of fiber-reinforced resin-based microwave-absorbing composites, setting the stage for a new era in material science and technology. Materials science ; Composite material ; Microwave ; Composite number ; Absorption (acoustics) ; Fiber-reinforced composite ; Advanced composite materials ; Electromagnetic shielding ; Polymer ; Computer science ; Telecommunications Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Natural Fiber Reinforced Composites
Authors: Florian M. Gartner | Erwin Frey
Source: Physical Review X (article, 2024-04-03)
Field: Materials Science — Biomaterials

Design Principles for Fast and Efficient Self-Assembly Processes Self-assembly is a fundamental concept in biology and of significant interest to nanotechnology. Significant progress has been made in characterizing and controlling the properties of the resulting structures, both experimentally and theoretically. However, much less is known about kinetic constraints and determinants of dynamical properties like time efficiency, although these constraints can become severe limiting factors of self-assembly processes. Here, we investigate how the time efficiency and other dynamical properties of reversible self-assembly depend on the morphology (shape) of the building blocks for systems in which the binding energy between the constituents is large. As paradigmatic examples, we stochastically simulate the self-assembly of constituents with triangular, square, and hexagonal morphology into two-dimensional structures of a specified size. We find that the constituents’ morphology critically determines the assembly time and how it scales with the size of the target structure. Our analysis reveals three key structural parameters defined by the morphology: the nucleation size and attachment order, which describe the effective order of the chemical reactions by which clusters nucleate and grow, respectively, and the growth exponent, which determines how the growth rate of an emerging structure scales with its size. Using this characterization, we formulate an effective theory of the self-assembly kinetics, which we show exhibits an inherent scale invariance. This allows us to identify general scaling laws that describe the minimal assembly time as a function of the size of the target structure. We show how these insights on the kinetics of self-assembly processes can be used to design assembly schemes that could significantly increase the time efficiency and robustness of artificial self-assembly processes. Published by the American Physical Society 2024 Computer science Supramolecular Self-Assembly in Materials ; Modular Robots and Swarm Intelligence ; Block Copolymer Self-Assembly
Authors: Jing‐Feng Li | Xiaoyu Zhang | Zeke Liu | Hua Wu | Anran Wang | Zhao Luo | Jianxun Wang | Wei Dong | Chen Wang | Shanpeng Wen | Qingfeng Dong | William W. Yu | Weitao Zheng
Source: Small (article, 2024-02-22)
Field: Materials Science — Materials Chemistry

Optimizing Energy Levels and Improving Film Compactness in PbS Quantum Dot Solar Cells by Silver Doping PbS quantum dot (QD) solar cells harvest near-infrared solar radiation. Their conventional hole transport layer has limited hole collection efficiency due to energy level mismatch and poor film quality. Here, how to resolve these two issues by using Ag-doped PbS QDs are demonstrated. On the one hand, Ag doping relieves the compressive stress during layer deposition and thus improves film compactness and homogeneity to suppress leakage currents. On the other hand, Ag doping increases hole concentration, which aligns energy levels and increases hole mobility to boost hole collection. Increased hole concentration also broadens the depletion region of the active layer, decreasing interface charge accumulation and promoting carrier extraction efficiency. A champion power conversion efficiency of 12.42% is achieved by optimizing the hole transport layer in PbS QD solar cells, compared to 9.38% for control devices. Doping can be combined with compressive strain relief to optimize carrier concentration and energy levels in QDs, and even introduce other novel phenomena such as improved film quality. Doping ; Materials science ; Optoelectronics ; Quantum dot ; Energy conversion efficiency ; Electron mobility ; Nanotechnology Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; ZnO doping and properties
Authors: Konstantina Theodora Laina | Christina Drosou | Chrysanthos Stergiopoulos | Panagiota N. Eleni | Magdalini Krokida
Source: Molecules (article, 2024-12-06)
Field: Chemistry — Analytical Chemistry

Optimization of Combined Ultrasound and Microwave-Assisted Extraction for Enhanced Bioactive Compounds Recovery from Four Medicinal Plants: Oregano, Rosemary, Hypericum, and Chamomile This study presents the synergistic application of ultrasound- and microwave-assisted extraction (UAE-MAE) as a novel and efficient method for recovering bioactive compounds from the medicinal plants oregano, rosemary, <i>Hypericum perforatum</i>, and chamomile. Extraction parameters, including microwave (MW) power, ultrasound (US) power, and extraction time, were optimized using the response surface methodology (RSM), with ethanol as the solvent. Extracts were evaluated for total phenolic content (TPC) via the Folin-Ciocalteu method and antioxidant activity (IC50) using the DPPH assay. High-performance liquid chromatography with diode array detection (HPLC-DAD) identified the main bioactive compounds contributing to their antioxidant and therapeutic potential. The optimized UAE-MAE conditions enhanced phenolic recovery and antioxidant potential across all plants. Notably, <i>Hypericum perforatum</i> exhibited the highest TPC (53.7 mg GAE/g) and strongest antioxidant activity (IC50 29.8 mg extract/g) under 200 W MW, 450 W US, and 12 min, yielding 14.5%. Rosemary achieved the highest yield (23.36%) with a TPC of 26.35 mg GAE/g and an IC50 of 40.75 mg extract/g at 200 W MW, 700 W US, and 8 min. Oregano's optimal conditions (500 W MW, 700 W US, 12 min) produced a TPC of 34.99 mg GAE/g and an IC50 of 50.31 mg extract/g. Chamomile extracts demonstrated lower phenolic content and antioxidant activity but achieved significant yields under 500 W MW, 700 W US, and 5 min. This study highlights UAE-MAE's superior efficiency, showcasing its potential to maximize phenolic recovery sustainably, making it a promising technique for industrial and therapeutic applications. Hypericum ; Traditional medicine ; Extraction (chemistry) ; Hypericum perforatum ; Microwave ; Medicinal plants ; Chemistry ; Botany ; Chromatography ; Biology ; Medicine ; Computer science Chromatography in Natural Products ; Analytical Chemistry and Chromatography ; Hops Chemistry and Applications
Authors: Vanja Travičić | Teodora Cvanić | Olja Šovljanski | Tamara Erceg | Milica N. Perović | Alena Stupar | Gordana Ćetković
Source: Antioxidants (article, 2024-02-25)
Field: Chemistry — Organic Chemistry

Updating the Status quo on the Eco-Friendly Approach for Antioxidants Recovered from Plant Matrices Using Cloud Point Extraction The concepts of "green chemistry" are gaining importance in the agri-food sector due to the need to minimize pollution from toxic chemicals, improve the safety and sustainability of industrial processes, and provide "clean-labeled products" required by consumers. The application of the cloud point extraction (CPE) is considered a promising alternative to conventional organic solvents. In the CPE, the separation of compounds from the bulk solution occurs by adding a surfactant (either non-ionic or ionic). When the solution is heated to or above a critical temperature, referred to as the cloud point, two phases are formed-micellar and aqueous. Recently, the horizons of the traditional CPE have been increasingly expanding by improved procedures and integration with other techniques, such as the microwave- and ultrasonic-assisted extraction. This article provides an updated overview of the theory and research articles on the CPE from 2018 to 2023 and critically discusses the issues relevant to the potential applicability of the CPE as a promising and green technique for antioxidants recovered from plant materials. Finally, some future perspectives and research needs for improved CPE are presented. Cloud point ; Extraction (chemistry) ; Status quo ; Environmentally friendly ; Process engineering ; Computer science ; Sustainability ; Environmental science ; Biochemical engineering ; Green chemistry ; Aqueous solution ; Ionic liquid ; Chemistry ; Chromatography ; Engineering ; Organic chemistry Free Radicals and Antioxidants ; Bee Products Chemical Analysis ; Spectroscopy and Chemometric Analyses
Authors: Haoran Ruan | Junmeng Guo | Song Zhang | Yanyuan Gao | Wanyu Shang | Yang Liu | Meiying Su | Yabing Liu | Heng Wang | Tianen Xie | Gang Cheng | Zuliang Du
Source: Small (article, 2024-01-04)
Field: Materials Science — Materials Chemistry

In Situ Local Band Engineering of Monolayer Graphene Using Triboelectric Plasma Graphene, a promising material with excellent properties, suffers from a major limitation in electronics due to its zero bandgap. The gas molecules adsorption has proven to be an effective approach for band regulation, which usually requires a harsh environment. Here, O<sub>2</sub> <sup>-</sup> ions produced with triboelectric plasma are used for in situ regulation of graphene, and the switching ratio can reach 10<sup>10</sup>. The O<sub>2</sub> <sup>-</sup> ions physical adsorption will reduce the Fermi-level (E<sub>F</sub>) of graphene. As the E<sub>F</sub> of graphene is lower than the lowest unoccupied molecular orbital (LUMO) level of O<sub>2</sub>-, the adsorption of O<sub>2</sub> <sup>-</sup> changes from uniform physical adsorption to local chemical adsorption, thereby realizing the semiconductor properties of graphene. The local graphene bandgap is calculated to be 83.4 meV by the variable-temperature experiment. Furthermore, annealing treatment can restore to 1/10 of the initial conductance. The C─O bond formed by O<sub>2</sub> <sup>-</sup> adsorption has low bond energy and is easy to desorb, while the C═O bond formed by adsorption on defects and edges has higher bond energy and is difficult to desorb. The study proposes a simple in situ method to investigate the microscopic process of O<sub>2</sub> <sup>-</sup> adsorption on the graphene surface, demonstrating a new perspective for local energy band engineering of graphene. Graphene ; Materials science ; Adsorption ; Band gap ; Graphene foam ; Desorption ; Monolayer ; Graphene nanoribbons ; Bilayer graphene ; Chemical physics ; HOMO/LUMO ; Fermi level ; Nanotechnology ; Molecule ; Chemical engineering ; Optoelectronics ; Physical chemistry ; Chemistry ; Organic chemistry ; Electron ; Physics Graphene research and applications ; 2D Materials and Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Kaicheng Wang | Xingjian Zhao | Jie Yin | Yi Fang | Ruifeng Li | Dikai Guan | Yonghao Gao
Source: Materials Science and Engineering A (article, 2024-05-03)
Field: Materials Science — Biomaterials

Manipulating the mechanical strength and thermal conductivity of a Mg–4Zn-0.6Zr alloy through Ca addition Materials science ; Thermal conductivity ; Alloy ; Mechanical strength ; Magnesium alloy ; Metallurgy ; Composite material Magnesium Alloys: Properties and Applications ; Aluminum Alloy Microstructure Properties ; Aluminum Alloys Composites Properties
Authors: István Takács | Viktor Ivády
Source: Communications Physics (article, 2024-06-04)
Field: Materials Science — Materials Chemistry

Accurate hyperfine tensors for solid state quantum applications: case of the NV center in diamond Abstract The decoherence of point defect qubits is often governed by the electron spin-nuclear spin hyperfine interaction that can be parameterized by using ab inito calculations in principle. So far most of the theoretical works have focused on the hyperfine interaction of the closest nuclear spins, while the accuracy of the predictions for distinct nuclear spins is barely discussed. Here we demonstrate for the case of the NV center in diamond that the absolute relative error of the computed hyperfine parameters can exceed 100% using an industry standards first-principles code. To overcome this issue, we implement an alternative method and report on significantly improved hyperfine values with $${{{{{{{\mathcal{O}}}}}}}}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>O</mml:mi> </mml:math> (1%) relative mean error at all distances. The provided accurate hyperfine data for the NV center enables high-precision simulation of NV quantum nodes for quantum information processing and positioning of nuclear spins by comparing experimental and theoretical hyperfine data. Hyperfine structure ; Diamond ; Solid-state ; Quantum ; Center (category theory) ; Atomic physics ; Physics ; Materials science ; Condensed matter physics ; Quantum mechanics ; Chemistry ; Engineering physics ; Crystallography Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Atomic and Subatomic Physics Research
Authors: Georgiana Ancuta Misu | Cristina Maria Canja | Mirabela Ioana Lupu | Florentina Matei
Source: Foods (review, 2024-07-15)
Field: Materials Science — Polymers and Plastics

Advances and Drawbacks of Sous-Vide Technique—A Critical Review The sous-vide (SV) technique, notable for its precision and ability to preserve food quality, has become a transformative method in culinary arts. This review examines the technical aspects, applications, and limitations of SV, focusing on its impact on food safety, nutritional retention, and quality parameters across various food matrices such as meats, seafood, vegetables, and semi-prepared products. Through an extensive literature review, the study highlights the use of natural inhibitors and essential oils to enhance microbial safety and explores the nutritional benefits of SV in preserving vitamins and minerals. The findings suggest that while SV offers significant benefits in terms of consistent results and extended shelf life, challenges remain in terms of equipment costs and the necessity for specific training, and although sufficient for food preparation/processing, its effectiveness in eliminating microbial pathogens, including viruses, parasites, and vegetative and spore forms of bacteria, is limited. Overall, the research underscores SV's adaptability and potential for culinary innovation, aligning with modern demands for food safety, quality, and nutritional integrity. Computer science Natural Fiber Reinforced Composites ; Textile materials and evaluations
Authors: Faizan Faraz | Zhengping Zhang | Yuanqing Huang | Hifza Fraz | Taufeeq Ur Rehman Abbasi | Xiong Wang | Weiren Zhu
Source: Advanced Optical Materials (article, 2024-02-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Bi‐Layer Reflection‐Transmission Dual‐Mode Metasurface with Flexible Bandwidth Control Abstract A general strategy for designing bi‐layer reflection‐transmission integrated dual‐mode metasurfaces is presented with flexible bandwidth control. The design of such metasurfaces is enlightened by introducing a cutting hole in the ground plane, which not only acts as a filter for reflection and transmission but also has an eloquent role for bandwidth control. For proof of concept, a bi‐layer metasurface consisting of split ring resonators (SRRs) is designed on the top side and I‐shaped resonators on both sides. The proper adjustment of ground cut/hole shifts the two co‐polarized resonances (initial resonances of the SRRs) close to each other, and in addition, converts wideband cross‐polarized reflection (in between the two initial co‐polarized resonances of SRR) to co‐polarized reflection. This results in a broadband response by shifting two co‐polarized resonances close to each other and converting cross‐polarized reflection into co‐polarized reflection. It is demonstrated that a simple SRR can be responsible for broadband (7.9–12 GHz) reflection while an I‐shaped structure is used for transmission with central frequency at 17.58 GHz with independent phase controls. To endorse the proposed strategy, a metasurface prototype is fabricated and tested for the generation of vortex beams and focusing. Broadband ; Optics ; Reflection (computer programming) ; Bandwidth (computing) ; Resonator ; Wideband ; Materials science ; Ground plane ; Metamaterial ; Transmission (telecommunications) ; Optoelectronics ; Split-ring resonator ; Physics ; Telecommunications ; Computer science ; Antenna (radio) Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Alexander Morozov | Mikhail Pugach | Andrey Polyakov | Pavel Osinenko | Anton Bolychev | Vladimir Terzija | Sergei Parsegov
Source: IEEE Access (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Optimal Flow Factor Determination in Vanadium Redox Flow Battery Control The optimization of vanadium redox flow batteries (VRFBs) is closely related to the flow rate control: a proper regulation of the electrolyte flow rate reduces losses and prolongs battery lifetime. To this end, a <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">flow factor</i> control strategy in VRFBs was proposed in the literature provided with numerical/ experimental validations. Yet, a theoretical justification of this approach was lacking. The respective control law is a generalization of Faraday’s law of electrolysis since it employs a special scaling parameter referred to as the <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">flow factor</i> . In this paper, we show that this coefficient is directly related to the conversion rate of electrolyte in the cell. Furthermore, we pose an optimal control problem with maximization of total battery power integrated over time to determine an optimal flow factor. To this end, we use a simple stochastic policy gradient algorithm. The case studies illustrate the application of the computed optimal controller under various load currents and demonstrate that there is no single flow factor for all modes, the optimal performance of the battery can only be guaranteed by different values of this parameter. As a result, the proposed control strategy can be used for advanced control and monitoring tools for industrial VRFB systems. Flow battery ; Vanadium ; Redox ; Flow (mathematics) ; Flow control (data) ; Computer science ; Battery (electricity) ; Control (management) ; Control theory (sociology) ; Inorganic chemistry ; Chemistry ; Mechanics ; Thermodynamics ; Physics ; Telecommunications ; Power (physics) ; Artificial intelligence Catalytic Processes in Materials Science
Authors: Lei Wang | Xuyan Zhou | Zihan Luo | Sida Liu | Shengying Yue | Yan Chen | Yilun Liu
Source: Advanced Functional Materials (article, 2024-09-10)
Field: Materials Science — Materials Chemistry

Review of External Field Effects on Electrocatalysis: Machine Learning Guided Design Abstract External field‐enhanced electrocatalysis is a novel and promising approach for boosting the efficiency of electrocatalytic reactions, potentially achieving significant enhancement without altering the composition and structure of electrocatalysts. In addition, the scaling relations of electrocatalysis typically lead to similar variations of initial‐state and transition‐state (TS) energy, which minimally impacts the reaction energy barrier. A sophisticated design of the external field effects shall break these scaling relations. This review provides a comprehensive overview of current research on the effect of mechanical, electric, and magnetic fields on electrocatalysis. It meticulously details the mechanisms underlying activity enhancement based on external field regulations, spanning from the synthesis of electrocatalytic materials to their behavior during the reaction process and modulation of the electrolyte environment. Additionally, the applications of emerging machine learning (ML) technologies in electrocatalysis design, including machine learning interatomic potentials (MLIPs) to simulate large‐scale and dynamic chemical reaction processes, data‐driven design and optimization of electrocatalysis performance, are briefly reviewed. In addition, the significant potential of ML technologies in conjunction with external field regulation, envisioning them as effective tools for optimizing or reverse designing electrocatalysis, considering both thermodynamic and kinetic factors as well as the dynamic effect of electrocatalyst surfaces under extreme external fields, is highlighted. Electrocatalyst ; Materials science ; Field (mathematics) ; Nanotechnology ; Electrochemistry ; Electrode ; Physics ; Quantum mechanics Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Fuel Cells and Related Materials