jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Priyanka Yadav | J. John | Ashok K. Ganguli
Source: ChemistrySelect (article, 2024-03-07)
Field: Materials Science — Materials Chemistry

Large‐Scale Solution‐Processed Ultrathin 2D Tri‐layer Heterostructures for Photodetector Applications Abstract Heterojunction‐based photodetectors of 2D TMDs provide the solution‐processability and scalability to fabricate devices. In this study, we have produced photodetectors using a solution‐processable approach, focusing on the heterojunction of 2D transition metal dichalcogenides (TMDs). The photodetection properties of the fabricated devices have been thoroughly examined at two different wavelengths 660 nm and 785 nm. This hybrid 2D tri‐layer heterojunction strategy, employing a MoS 2 /MoSe 2 heterojunction as the photosensitizer and a TiS 2 layer as the conducting pathway, is fabricated to understand high‐performance photodetectors. A simple and low‐cost solution process was used to fabricate all the active layers of the photodetector. 2D TMDs were synthesized by liquid phase exfoliation which exhibits absorption in both visible as well as NIR spectral regions. The as‐fabricated photodetector shows a response time of 220 msec and responsivity of ~28 mA W −1 in the visible region and ~44 mA W −1 in the near IR region. This improved response of the as‐fabricated photodetector of tri‐layer heterojunction results from the effective decrease in recombination rate and efficient electron–hole separation. Photodetector ; Heterojunction ; Optoelectronics ; Layer (electronics) ; Materials science ; Scale (ratio) ; Nanotechnology ; Physics 2D Materials and Applications ; Ga2O3 and related materials ; Perovskite Materials and Applications
Authors: Haitao Liu | Jueke Hu | Wulin Yang | Jiajun Zhu | Licai Fu | Deyi Li | Lingping Zhou
Source: Polymer Composites (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Honeycomb networks of boron nitride/nanodiamond with interlocking interfaces enhance the application reliability of silicone rubber thermal conductivity composites Abstract The three‐dimensional (3D) boron nitride (BN) thermal conductive networks, crafted through layer‐by‐layer assembly, hold tremendous potential for the development of insulating thermal interface materials (TIMs) with exceptional thermal conductivity. Nevertheless, maintaining the thermal conductive stability of this structure type during application remains a considerable challenge. Herein, initially, the honeycomb networks of boron nitride/nanodiamond (ND/kBN) with interlocking interfaces were prepared by electrostatic self‐assembly and ice template method. Subsequently, thermal conductivity composites of flexible silicone rubber (VQM) were acquired through vacuum‐assisted infiltration. The composites demonstrated improved through‐plane thermal conductivity with 1.03 W/(m K) at a 9.9 vol% content of ND/kBN while exhibiting relatively ideal dielectric properties. More importantly, the thermal conductive properties of the composites still maintain at 96.1% and 91.9%, respectively, even after undergoing 30% compressive deformation for 1 h and being bent 300 times. This study presents a novel strategy that not only improves the thermal conductivity of composites but also ensures the reliability of their applications. Highlights Nanodiamond (ND) is anchored onto the kBN surface by electrostatic self‐assembly. ND/kBN filler honeycomb network with an interlocking interface was prepared. Flexible composites with high thermal conductivity (TC) were prepared. The composites exhibit excellent TC stability after experiencing deformation. Materials science ; Composite material ; Boron nitride ; Nanodiamond ; Thermal conductivity ; Silicone rubber ; Interlocking ; Silicone ; Honeycomb ; Diamond ; Structural engineering Thermal properties of materials ; Tribology and Wear Analysis ; Graphene research and applications
Authors: Mohamed Hamode | Alon Krause | Maria Shehadeh | Bruria Schmerling | Tchiya Zar | Iddo Pinkas | David Zitoun | Adi Salomon
Source: Environmental Science Nano (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmonic-based Raman sensor for ultra-sensitive detection of pharmaceutical waste Pharmaceutical waste and contaminants pose a significant global concern for water and food safety. Plasmon ; Raman spectroscopy ; Materials science ; Nanotechnology ; Optoelectronics ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced biosensing and bioanalysis techniques
Authors: Alexandra Wahab | Renana Gershoni‐Poranne
Source: Physical Chemistry Chemical Physics (article, 2024-11-29)
Field: Chemistry — Physical and Theoretical Chemistry

Accelerated diradical character assessment in large datasets of polybenzenoid hydrocarbons using xTB fractional occupation Polybenzenoid hydrocarbons (PBHs) have garnered significant attention in the field of organic electronics due to their unique electronic properties. To facilitate the design and discovery of new functional organic materials based on these compounds, it is necessary to assess their diradical character. However, this usually requires expensive multireference calculations. In this study, we demonstrate rapid identification and quantification of open-shell character in PBHs using the fractional occupation number weighted electron density metric (<i>N</i><sub>FOD</sub>) calculated with the semiempirical GFN2-xTB (xTB) method. We apply this approach to the entire chemical space of PBHs containing up to 10 rings, a total of over 19k molecules, and find that approximately 7% of the molecules are identified as having diradical character. Our findings reveal a strong correlation between xTB-calculated <i>N</i><sub>FOD</sub> and the more computationally expensive Yamaguchi <i>y</i> and DFT-calculated <i>N</i><sub>FOD</sub>, validating the use of this efficient method for large-scale screening. Additionally, we identify a linear relationship between size and <i>N</i><sub>FOD</sub> value and implement a size-dependent threshold for open-shell character, which significantly improves the accuracy of diradical identification across the chemical space of PBHs. This size-aware approach reduces false positive identifications from 6.97% to 0.38% compared to using a single threshold value. Overall, this work demonstrates that xTB-calculated <i>N</i><sub>FOD</sub> provides a rapid and cost-effective alternative for large-scale screening of open-shell character in PBHs. Diradical ; Character (mathematics) ; Chemistry ; Computational chemistry ; Physics ; Mathematics ; Quantum mechanics Crystallography and molecular interactions ; Analytical Chemistry and Chromatography ; Surface Chemistry and Catalysis
Authors: Si Li | Ziyang Yin | Anxiu Wang | Chenhao Yu | Runtang Feng | Guowei Liu | Xiaoli Tian | Liugang Chen | Chengliang Ma
Source: High-temperature materials. (article, 2024-01-01)
Field: Materials Science — Biomaterials

Characterization, Exploitation and Application of Tibetan Microcrystalline Magnesite This paper provides a comprehensive account of the properties, development and extensive utilisation of Tibetan microcrystalline magnesite in industry. Tibetan microcrystalline magnesite has become a significant raw material for refractories, high-temperature insulating materials and magnesium chemical materials due to its high purity, low impurity content (mainly Si and Fe elements) and micrometre-sized crystallisation size (2~4 μm). The article presents a detailed analysis of the microstructure of Tibetan microcrystalline magnesite, its thermal decomposition behaviour and the key technologies employed in preparing high-purity magnesium oxide and sintered magnesia through light burning and electrofusion processes. Furthermore, this paper examines the potential applications of Tibetan microcrystalline magnesite in producing high-performance magnesium materials, including activated magnesium oxide, nano-magnesium oxide, and magnesium hydroxide, which are extensively utilized in environmental protection and high-temperature technology. It is demonstrated that the performance of Tibetan microcrystalline magnesite products can be markedly enhanced by optimising the process parameters and modification techniques, thereby further expanding their application prospects in industrial fields. This review offers a theoretical foundation and technical support for effectively utilising Tibetan microcrystalline magnesite, which possesses significant industrial application value and potential. Magnesite ; Microcrystalline ; Characterization (materials science) ; Materials science ; Geology ; Geochemistry ; Nanotechnology ; Metallurgy ; Magnesium ; Paleontology Clay minerals and soil interactions ; Geochemistry and Elemental Analysis ; Magnetic Properties of Alloys
Authors: Oula M. H. Fatla | Fiona Robinson | Muhsin J. Jweeg | Nathan Beynon | Agustín Valera-Medina | Hakim S. Sultan Aljibori | M. N. Mohammed | Oday I. Abdullah
Source: Open Engineering (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Technologies for high-temperature batch annealing of grain-oriented electrical steel: An overview Abstract The production of grain-oriented, electrical steel consists of a series of processes that lead to a product with superior magnetic properties used in transformers due to the low core loss. The unique properties are gained during the process of secondary recrystallization and abnormal grain growth. The abnormal grain growth occurs during a process of special thermal treatment with careful control over the heating rate, pressure, and type of gas used as atmospheric pressure during the process. The process of thermal treatment is known as high-temperature annealing. Investigating of developing the process hardware is crucially important to sustain energy-efficient processes and to maintain excellent final product properties. This research presents an overview of the technology of high-temperature coil annealing (HTCA) furnaces used at Cogent Power Orb, UK. The research focuses on some specific details of running, managing, and controlling the operation of the HTCA furnaces during the annealing process. The research provides energy analysis of the annealing process at Cogent Power Orb. Different factors were examined to identify the main factors that contribute to the high energy consumption. Actual data were collected from the annealing furnace control system. The raw data were processed and analyzed carefully to examine different factors, namely, steel charge weight, furnace on-time, and furnace heating elements. The study focused then on one specific factor, namely, annealing cycle time, and investigated further the way that this factor affects the process energy consumption. It was found that one of the main reasons for the long cycle duration and the high energy consumption is the failure of the heating elements during the cycle. The research discussed the area of improvements in the process hardware with a particular focus on the furnace design and the potential of introducing convection currents to overcome failure in the heating elements and thus reduce the process on time. Materials processing ; Annealing (glass) ; Industrial chemistry ; Materials science ; Metallurgy ; Grain size ; Engineering physics ; Process engineering ; Engineering ; Biochemical engineering Magnetic Properties and Applications ; Metallurgical Processes and Thermodynamics ; Microstructure and Mechanical Properties of Steels
Authors: K Manoj Kumar | S. Nadaradjan | MK Sakthi Anand | A. Premkumar | G Hemalatha
Source: International Journal of Research in Agronomy (article, 2024-05-01)
Field: Materials Science — Materials Chemistry

Enhancing agricultural sustainability through plant Nanobionics: Innovations, challenges and future Directions Plant nanobionics, a rapidly growing interdisciplinary field situated at the convergence of nanotechnology and plant biology, aims to leverage the capabilities of nanoparticles in enhancing various aspects of plant functionality. The focus of this abstract is to delve into the process of integrating artificial nanoparticles into different plant organelles, with a specific emphasis on chloroplasts, to elevate the performance of essential physiological mechanisms such as photosynthesis and the ability to sense environmental cues. By incorporating nanoscale materials like single-walled carbon nanotubes (SWNTs) and nanoceria, the overall efficiency of photosynthetic processes is notably boosted, presenting a multitude of promising opportunities for the domains of sustainable agriculture and applications related to renewable energy sources. Furthermore, the introduction of nanoparticles equips plants with the capacity to not only identify but also counteract environmental stressors like drought and soil contamination, thereby aiding in soil restoration efforts and augmenting agricultural output. In addition to these benefits, the continuous progress in the realm of plant nanobionics has paved the way for the creation of innovative biosensors that possess the ability to independently recognize alterations in the surrounding environment, particularly in terms of water scarcity. The deployment of intelligent dust particles, which consist of miniature sensors dispersed throughout agricultural landscapes, plays a pivotal role in offering real-time information regarding soil conditions, thereby empowering farmers with valuable knowledge to optimize land utilization strategies. This underscores the profound transformative capacity inherent in plant nanobionics, illustrating its potential to revolutionize not only agricultural practices but also environmental surveillance measures and the management of sustainable resources. Sustainability ; Agriculture ; Nanotechnology ; Business ; Environmental science ; Biochemical engineering ; Environmental resource management ; Computer science ; Engineering ; Ecology ; Materials science ; Biology Nanoparticles: synthesis and applications ; Microbial Fuel Cells and Bioremediation ; Photosynthetic Processes and Mechanisms
Authors: Pardis Ghahramani | Kamran Behdinan | Rasool Moradi‐Dastjerdi | Hani E. Naguib
Source: Nanotechnology Reviews (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Development and modeling of an ultra-robust TPU-MWCNT foam with high flexibility and compressibility Abstract Developing a cost-effective industrially scalable manufacturing method that can improve the mechanical properties of nanocomposite foams with higher flexibility, compressibility, and, at the same time, mechanically robustness is of significant interest. In this study, porous thermoplastic polyurethane (TPU)/multiwalled carbon nanotube (MWCNT) was fabricated with the chemical blowing agent (CBA) by a combination of compounding-compression molding methods. The effects of CBA and MWCNT contents on the foam morphology, porosity, foam cell size, Young’s modulus, and compressibility of fabricated samples were investigated. Through conducting cyclic compressive tests, it was observed that nanocomposite foams exhibited consistent mechanical responses across multiple compressive cycles and demonstrated notable characteristics, including high compressibility (up to 76.4% compressive strain) and high elastic modulus (up to 8.8 ± 2.6 MPa). Moreover, theoretical approaches were employed to predict the elastic modulus of solid and foam TPU/MWCNT. For solid MWCNT/TPU, a specific micromechanical model based on different modifications of the Halpin-Tsai (HT) approach was used, which showed a good agreement with experimental data at different MWCNT contents. Furthermore, the constant parameters of Gibson and Ashby’s method were found to successfully predict the elastic modulus of foam TPU/MWCNT at different MWCNT and CBA percentages. Materials science ; Composite material ; Thermoplastic polyurethane ; Compressibility ; Nanocomposite ; Compounding ; Porosity ; Modulus ; Compressive strength ; Compression molding ; Elastic modulus ; Polyurethane ; Blowing agent ; Elastomer Polymer Foaming and Composites ; Polymer composites and self-healing ; Electrospun Nanofibers in Biomedical Applications
Authors: Yihua He | Sean Ting‐Shyang Wei | Sindy Kluge | Katrin Flemming | Vladyslav Sushko | René Hübner | Robin Steudtner | Johannes Raff | Clarisse Mallet | Aude Beauger | Vincent Breton | Olivier Péron | Thorsten Stumpf | Susanne Sachs | Gilles Montavon
Source: Ecotoxicology and Environmental Safety (article, 2024-08-22)
Field: Chemistry — Inorganic Chemistry

Investigating the interaction of uranium(VI) with diatoms and their bacterial community: A microscopic and spectroscopic study Diatoms and bacteria play a vital role in investigating the ecological effects of heavy metals in the environment. Despite separate studies on metal interactions with diatoms and bacteria, there is a significant gap in research regarding heavy metal interactions within a diatom-bacterium system, which closely mirrors natural conditions. In this study, we aim to address this gap by examining the interaction of uranium(VI) (U(VI)) with Achnanthidium saprophilum freshwater diatoms and their natural bacterial community, primarily consisting of four successfully isolated bacterial strains (Acidovorax facilis, Agrobacterium fabrum, Brevundimonas mediterranea, and Pseudomonas peli) from the diatom culture. Uranium (U) bio-association experiments were performed both on the xenic A. saprophilum culture and on the four bacterial isolates. Scanning electron microscopy and transmission electron microscopy coupled with spectrum imaging analysis based on energy-dispersive X-ray spectroscopy revealed a clear co-localization of U and phosphorus both on the surface and inside A. saprophilum diatoms and the associated bacterial cells. Time-resolved laser-induced fluorescence spectroscopy with parallel factor analysis identified similar U(VI) binding motifs both on A. saprophilum diatoms and the four bacterial isolates. This is the first work providing valuable microscopic and spectroscopic data on U localization and speciation within a diatom-bacterium system, demonstrating the contribution of the co-occurring bacteria to the overall interaction with U, a factor non-negligible for future modeling and assessment of radiological effects on living microorganisms. Diatom ; Bacteria ; Biology ; Environmental chemistry ; Uranium ; Pseudomonas ; Botany ; Chemistry ; Materials science ; Genetics Radioactive element chemistry and processing ; Analytical chemistry methods development ; Geochemistry and Elemental Analysis
Authors: Haocheng Yun | Zhen Liu | Wanchao Hou | Qiang Liu | Yuyu Nong | Sainan Li | Chunming Liu
Source: Journal of Separation Science (article, 2024-03-01)
Field: Chemistry — Analytical Chemistry

Rapid screening and isolation of 5‐lipoxygenase inhibitors in <i>Inonotus obliquus</i> and mechanism of action in the treatment of asthma Accurate screening and targeted preparative isolation of active substances in natural medicines have long been two technical challenges in natural medicine research. This study outlines a new approach to improve the efficiency of natural product preparation, focusing on rapidly and accurately screening potential active ingredients in Inonotus obliquus as well as efficiently preparing 5-lipoxidase (5-LOX) inhibitors, to provide new ideas for the treatment of asthma with Inonotus obliquus. First, we used ultrafiltration (UF) mass spectrometry to screen for three potential inhibitors of 5-LOX in Inonotus obliquus. Subsequently, the inhibitory effect of the active ingredients screened in the UF assay on 5-LOX was verified using the molecular docking technique, and the potential role of the active compounds in Inonotus obliquus for the treatment of asthma was analyzed by network pharmacology. Finally, based on the above activity screening guidelines, we used semi-preparative liquid chromatography and consecutive high-speed countercurrent chromatography to isolate three high-purity 5-LOX inhibitors such as betulin, lanosterol, and quercetin. Obviously, through the above approach, we have seamlessly combined rapid discovery, screening, and centralized preparation of the active ingredient with molecular-level interactions between the active ingredient and the protease. Inonotus obliquus ; Active ingredient ; Chemistry ; Natural product ; Ingredient ; Chromatography ; Betulin ; Traditional medicine ; Pharmacology ; Biochemistry ; Medicine ; Food science Chromatography in Natural Products ; Fungal Biology and Applications ; Pharmacological Effects of Natural Compounds
Authors: Richa Mitra | Konstantina Iordanidou | Naveen Shetty | Md. Anamul Hoque | Anushree Datta | Alexei Kalaboukhov | Julia Wiktor | Sergey Kubatkin | Saroj P. Dash | Samuel Lara‐Avila
Source: arXiv (Cornell University) (preprint, 2024-09-07)
Field: Materials Science — Materials Chemistry

Gate-tunable negative differential resistance in multifunctional van der Waals heterostructure Two-dimensional (2D) semiconductors have emerged as leading candidates for the development of low-power and multifunctional computing applications, thanks to their qualities such as layer-dependent band gap tunability, high carrier mobility, and excellent electrostatic control. Here, we explore a pair of 2D semiconductors with broken-gap (Type III) band alignment and demonstrate a highly gate-tunable p-MoTe$_{2}$/n-SnS$_{2}$ heterojunction tunnel field-effect transistor with multifunctional behavior. Employing a dual-gated asymmetric device geometry, we unveil its functionality as both a forward and backward rectifying device. Consequently, we observe a highly gate-tunable negative differential resistance (NDR), with a gate-coupling efficiency of $η\simeq 0.5$ and a peak-to-valley ratio of $\sim$ 3 down to 150K. By employing density functional theory and exploring the density of states, we determine that interband tunneling within the valence bands is the cause of the observed NDR characteristics. The combination of band-to-band tunneling and gate controllability of NDR signal open the pathway for realizing gate-tunable 2D material-based neuromorphic and energy-efficient electronics. van der Waals force ; Heterojunction ; Differential (mechanical device) ; Materials science ; Optoelectronics ; Nanotechnology ; Condensed matter physics ; Physics ; Quantum mechanics ; Molecule ; Thermodynamics Graphene research and applications ; 2D Materials and Applications ; Thermal properties of materials
Authors: Jiani Xiang | Xialian Wu | Angelo L. Chu | Junxia Lu
Source: Magnetic Resonance Letters (review, 2024-06-25)
Field: Chemistry — Spectroscopy

Solid-state NMR studies of proteins in condensed phases Some proteins perform their biological functions by changing their material states through liquid-liquid phase separation. Upon phase separation, the protein condenses into a concentrated liquid phase and sometimes into a gel phase, changing its dynamic properties and intermolecular interactions, thereby regulating cellular functions. Although the biological significance of this phenomenon has been widely recognized by researchers, there is still a lack of a comprehensive understanding of the structural and dynamic properties of the protein in the condensed phase. In this phase, molecules usually contain domains with varied dynamic properties and undergo intermediate exchanges. Magic angle spinning (MAS) solid-state NMR (SSNMR) experiments are very powerful in studying rigid protein polymers such as amyloid. The incorporation of solution-like experiments into SSNMR and the development of <i>J</i>-coupling based MAS SSNMR techniques extend its ability to study partially mobile segments of proteins in a condensed liquid or gel phase which are not visible by solution NMR or dipolar-coupling based SSNMR. Therefore, it has been applied in studying protein condensation and has provided very important information that is hard to obtain by other techniques. Solid-state nuclear magnetic resonance ; Chemistry ; Materials science ; Crystallography ; Chemical physics ; Nuclear magnetic resonance ; Physics Advanced NMR Techniques and Applications ; RNA Research and Splicing ; Protein Structure and Dynamics