jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lihao Wang | Haohua Lv | Yaohong Zhao | Chenglong Wang | Huijian Luo | Haoyang Lin | Jiabao Xie | Wenguo Zhu | Yongchun Zhong | Bin Liu | Jianhui Yu | Huadan Zheng
Source: Photoacoustics (article, 2024-06-28)
Field: Chemistry — Spectroscopy

Sub-ppb level HCN photoacoustic sensor employing dual-tube resonator enhanced clamp-type tuning fork and U-net neural network noise filter Hydrogen cyanide (HCN) is a toxic industrial chemical, necessitating low-level detection capabilities for safety and environmental monitoring. This study introduces a novel approach for detecting hydrogen cyanide (HCN) using a clamp-type custom quartz tuning fork (QTF) integrated with a dual-tube acoustic micro-resonator (AmR) for enhanced photoacoustic gas sensing. The design and optimization of the AmR geometry were guided by theoretical simulation and experimental validation, resulting in a robust on-beam QEPAS (Quartz-Enhanced Photoacoustic Spectroscopy) configuration. To boost the QEPAS sensitivity, an Erbium-Doped Fiber Amplifier (EDFA) was incorporated, amplifying the laser power by approximately 286 times. Additionally, a transformer-based U-shaped neural network, a machine learning filter, was employed to refine the photoacoustic signal and reduce background noise effectively. This combination yielded a significantly low detection limit for HCN at 0.89 parts per billion (ppb) with a rapid response time of 1 second, marking a substantial advancement in optical gas sensing technologies. Key modifications to the QTF and innovative use of AmR lengths were validated under various experimental conditions, affirming the system's capabilities for real-time, high-sensitivity environmental monitoring and industrial safety applications. This work not only demonstrates significant enhancements in QEPAS but also highlights the potential for further technological advancements in portable gas detection systems. Resonator ; Sensitivity (control systems) ; Materials science ; Photoacoustic spectroscopy ; Noise (video) ; Amplifier ; Laser ; Computer science ; Optoelectronics ; Electronic engineering ; Optics ; Engineering ; Physics ; CMOS Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Gas Sensing Nanomaterials and Sensors
Authors: Guochang Huang | Fuqiang Huang | Wujie Dong
Source: Chemical Engineering Journal (article, 2024-05-16)
Field: Materials Science — Materials Chemistry

Machine learning in energy storage material discovery and performance prediction Energy storage ; Computer science ; Energy (signal processing) ; Machine learning ; Artificial intelligence ; Physics ; Thermodynamics Machine Learning in Materials Science ; Extraction and Separation Processes ; Molten salt chemistry and electrochemical processes
Authors: Guan Huang | Lichuan Zhang | S. N. G. Chu | Yuee Xie | Yuanping Chen
Source: Applied Physics Letters (article, 2024-01-22)
Field: Materials Science — Materials Chemistry

A highly ductile carbon material made of triangle rings: A study of machine learning Carbon materials exhibit diverse mechanical properties, from hard diamond to soft graphite. However, carbon materials with high ductility are rare, because of strong covalent bonds between carbon atoms. Here, we propose that the structures of triangular lattice have higher ductility than those of hexagonal or quadrangle lattice. A two-dimensional (2D) carbon network, named a carbon Kagome lattice (CKL), is used as an example to verify the point. The carbon structure has a Kagome lattice similar to the triangular lattice. Because empirical potentials cannot well simulate mechanical properties of carbon structures with triangular carbon rings, we work out a neuroevolution potential (NEP) based on a machine learning method. Structural evolution and phase transition under strain have been studied based on the NEP. The results indicate that the ductility of 2D CKL can approach 80%, and even at a high temperature, the ductility can reach 48%. The ductile values are the highest in all 2D crystal materials except the molecular materials. The high ductility is attributed to the phase transition of 2D CKL under tensile strain. It transits to another carbon allotrope, named Carbon Ene-Yne graphyne, which can also sustain a large tensile strain. Our work not only proposes that the materials with triangular lattice have high ductile ability but also finds a 2D carbon material with the highest ductility, extending mechanical applications of materials. Materials science ; Ductility (Earth science) ; Carbon fibers ; Graphite ; Lattice (music) ; Diamond cubic ; Crystal structure ; Composite material ; Crystallography ; Diamond ; Chemistry ; Physics Graphene research and applications ; Machine Learning in Materials Science ; Thermal properties of materials
Authors: Tingting Deng | Pengfei Qiu | Tingwei Yin | Ze Li | Jiong Yang | Tian‐Ran Wei | Xun Shi
Source: Advanced Materials (article, 2024-01-04)
Field: Materials Science — Materials Chemistry

High‐Throughput Strategies in the Discovery of Thermoelectric Materials Searching for new high-performance thermoelectric (TE) materials that are economical and environmentally friendly is an urgent task for TE society, but the advancements are greatly limited by the time-consuming and high cost of the traditional trial-and-error method. The significant progress achieved in the computing hardware, efficient computing methods, advance artificial intelligence algorithms, and rapidly growing material data have brought a paradigm shift in the investigation of TE materials. Many electrical and thermal performance descriptors are proposed and efficient high-throughput (HTP) calculation methods are developed with the purpose to quickly screen new potential TE materials from the material databases. Some HTP experiment methods are also developed which can increase the density of information obtained in a single experiment with less time and lower cost. In addition, machine learning (ML) methods are also introduced in thermoelectrics. In this review, the HTP strategies in the discovery of TE materials are systematically summarized. The applications of performance descriptor, HTP calculation, HTP experiment, and ML in the discovery of new TE materials are reviewed. In addition, the challenges and possible directions in future research are also discussed. Thermoelectric materials ; Throughput ; Thermoelectric effect ; Task (project management) ; Environmentally friendly ; Computer science ; Materials science ; Process engineering ; Nanotechnology ; Systems engineering ; Engineering ; Telecommunications ; Physics Advanced Thermoelectric Materials and Devices ; Machine Learning in Materials Science ; Chalcogenide Semiconductor Thin Films
Authors: Huaiyu Dong | Yuhui Zhang | Chen Yu | Zhichen Wang | Yixing Huang
Source: Chemical Engineering Journal (article, 2024-05-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Eco-friendly microwave absorption metastructure: Design, optimization, and performance of CPVM based on PLA@CF Microwave ; Absorption (acoustics) ; Environmentally friendly ; Materials science ; Composite material ; Process engineering ; Engineering ; Telecommunications ; Ecology ; Biology Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Supercapacitor Materials and Fabrication
Authors: Fei Ding | Chao Meng | Sergey I. Bozhevolnyi
Source: Photonics Insights (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrically tunable optical metasurfaces Optical metasurfaces have emerged as a groundbreaking technology in photonics, offering unparalleled control over light–matter interactions at the subwavelength scale with ultrathin surface nanostructures and thereby giving birth to flat optics. While most reported optical metasurfaces are static, featuring well-defined optical responses determined by their compositions and configurations set during fabrication, dynamic optical metasurfaces with reconfigurable functionalities by applying thermal, electrical, or optical stimuli have become increasingly more in demand and moved to the forefront of research and development. Among various types of dynamically controlled metasurfaces, electrically tunable optical metasurfaces have shown great promise due to their fast response time, low power consumption, and compatibility with existing electronic control systems, offering unique possibilities for dynamic tunability of light–matter interactions via electrical modulation. Here we provide a comprehensive overview of the state-of-the-art design methodologies and technologies explored in this rapidly evolving field. Our work delves into the fundamental principles of electrical modulation, various materials and mechanisms enabling tunability, and representative applications for active light-field manipulation, including optical amplitude and phase modulators, tunable polarization optics and wavelength filters, and dynamic wave-shaping optics, including holograms and displays. The review terminates with our perspectives on the future development of electrically triggered optical metasurfaces. Optoelectronics ; Materials science ; Optics ; Physics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: Linfeng Wei | Jiyan Liu | Guibin Jiang
Source: Nature Communications (review, 2024-08-27)
Field: Materials Science — Materials Chemistry

Nanoparticle-specific transformations dictate nanoparticle effects associated with plants and implications for nanotechnology use in agriculture Nanotechnology shows potential to promote sustainable and productive agriculture and address the growing population and food demand worldwide. However, the applications of nanotechnology are hindered by the lack of knowledge on nanoparticle (NP) transformations and the interactions between NPs and macromolecules within crops. In this Review, we discuss the beneficial and toxicity-relieving transformation products of NPs that provide agricultural benefits and the toxic and physiology-disturbing transformations that induce phytotoxicities. Based on knowledge related to the management of NP transformations and their long-term effects, we propose feasible design suggestions to attain nano-enabled efficient and sustainable agricultural applications. Nanoparticle ; Nanotechnology ; Agriculture ; Materials science ; Biology ; Ecology Nanoparticles: synthesis and applications
Authors: Jiangtao Tian | Wenhan Cao
Source: PhotoniX (article, 2024-01-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Reconfigurable flexible metasurfaces: from fundamentals towards biomedical applications Abstract Metamaterials and metasurfaces of artificial micro-/nano- structures functioning from microwave, terahertz, to infrared regime have enabled numerous applications from bioimaging, cancer detection and immunoassay to on-body health monitoring systems in the past few decades. Recently, the trend of turning metasurface devices flexible and stretchable has arisen in that the flexibility and stretchability not only makes the device more biocompatible and wearable, but also provides unique control and manipulation of the structural and geometrical reconfiguration of the metasurface in a creative manner, resulting in an extraordinary tunability for biomedical sensing and detection purposes. In this Review, we summarize recent advances in the design and fabrication techniques of stretchable reconfigurable metasurfaces and their applications to date thereof, and put forward a perspective for future development of stretchable reconfigurable metamaterials and metasurfaces. Metamaterial ; Control reconfiguration ; Nanotechnology ; Flexibility (engineering) ; Wearable computer ; Biocompatible material ; Computer science ; Fabrication ; Materials science ; Terahertz radiation ; Reconfigurability ; Optoelectronics ; Engineering ; Embedded system ; Telecommunications Metamaterials and Metasurfaces Applications ; Energy Harvesting in Wireless Networks ; Antenna Design and Analysis
Authors: Pan‐Ke Zhou | Yiping Li | Tao Zeng | Mun Yin Chee | Yuxing Huang | Ziyue Yu | Hongling Yu | Hong Yu | Weiguo Huang | Xiong Chen
Source: Angewandte Chemie International Edition (article, 2024-03-21)
Field: Materials Science — Materials Chemistry

One‐Dimensional Covalent Organic Framework‐Based Multilevel Memristors for Neuromorphic Computing Memristors are essential components of neuromorphic systems that mimic the synaptic plasticity observed in biological neurons. In this study, a novel approach employing one-dimensional covalent organic framework (1D COF) films was explored to enhance the performance of memristors. The unique structural and electronic properties of two 1D COF films (COF-4,4'-methylenedianiline (MDA) and COF-4,4'-oxydianiline (ODA)) offer advantages for multilevel resistive switching, which is a key feature in neuromorphic computing applications. By further introducing a TiO<sub>2</sub> layer on the COF-ODA film, a built-in electric field between the COF-TiO<sub>2</sub> interfaces could be generated, demonstrating the feasibility of utilizing COFs as a platform for constructing memristors with tunable resistive states. The 1D nanochannels of these COF structures contributed to the efficient modulation of electrical conductance, enabling precise control over synaptic weights in neuromorphic circuits. This study also investigated the potential of these COF-based memristors to achieve energy-efficient and high-density memory devices. Neuromorphic engineering ; Memristor ; Resistive random-access memory ; Materials science ; Resistive touchscreen ; Nanotechnology ; Covalent organic framework ; Key (lock) ; Conductance ; Computer science ; Computer architecture ; Voltage ; Artificial neural network ; Electronic engineering ; Artificial intelligence ; Electrical engineering ; Engineering ; Physics Covalent Organic Framework Applications ; Advanced Memory and Neural Computing ; Luminescence and Fluorescent Materials
Authors: Guihe Li | Jia Yao
Source: Mining (review, 2024-03-02)
Field: Chemistry — Inorganic Chemistry

A Review of In Situ Leaching (ISL) for Uranium Mining Uranium, a cornerstone for nuclear energy, facilitates a clean and efficient energy conversion. In the era of global clean energy initiatives, uranium resources have emerged as a vital component for achieving sustainability and clean power. To fulfill the escalating demand for clean energy, continual advancements in uranium mining technologies are imperative. Currently, established uranium mining methods encompass open-pit mining, underground mining, and in situ leaching (ISL). Notably, in situ leaching stands out due to its environmental friendliness, efficient extraction, and cost-effectiveness. Moreover, it unlocks the potential of extracting uranium from previously challenging low-grade sandstone-hosted deposits, presenting novel opportunities for uranium mining. This comprehensive review systematically classifies and analyzes various in situ leaching techniques, exploring their core principles, suitability, technological advancements, and practical implementations. Building on this foundation, it identifies the challenges faced by in situ leaching and proposes future improvement strategies. This study offers valuable insights into the sustainable advancement of in situ leaching technologies in uranium mining, propelling scientific research and practical applications in the field. Uranium ; Leaching (pedology) ; Uranium mining ; In situ ; Environmental science ; Mining engineering ; Geochemistry ; Geology ; Metallurgy ; Materials science ; Chemistry ; Soil science Radioactive element chemistry and processing ; Extraction and Separation Processes ; Metal Extraction and Bioleaching
Authors: Hyunsoo Park | Zhenzhu Li | Aron Walsh
Source: Matter (article, 2024-07-01)
Field: Materials Science — Materials Chemistry

Has generative artificial intelligence solved inverse materials design? The directed design and discovery of compounds with pre-determined properties is a long-standing challenge in materials research. We provide a perspective on progress toward achieving this goal using generative models for chemical compositions and crystal structures based on a set of powerful statistical techniques drawn from the artificial intelligence community. We introduce the central concepts underpinning generative models of crystalline materials. Coverage is provided of early implementations for inorganic crystals based on generative adversarial networks and variational autoencoders through to ongoing progress involving autoregressive and diffusion models. The influence of the choice of chemical representation and the generative architecture is discussed, along with metrics for quantifying the quality of the hypothetical compounds produced. While further developments are required to enable realistic predictions drawn from richer structure and property datasets, generative artificial intelligence is already proving to be complementary to traditional materials design strategies. Generative grammar ; Inverse ; Computer science ; Artificial intelligence ; Mathematics Machine Learning in Materials Science ; Ferroelectric and Negative Capacitance Devices ; Advanced Memory and Neural Computing
Authors: Yu Han | Wenyuan Huang | Meng He | Bing An | Yinlin Chen | Xue Han | Lan An | Meredydd Kippax‐Jones | Jiangnan Li | Yuhang Yang | Mark D. Frogley | Cheng Li | Danielle Crawshaw | Pascal Manuel | Svemir Rudić | Yongqiang Cheng | Ian P. Silverwood | Luke L. Daemen | Anibal J. Ramirez‐Cuesta | Sarah J. Day | Stephen P. Thompson | Ben F. Spencer | Marek Nikiel | Daniel Lee | Martin Schröder | Sihai Yang⧫
Source: Nature Materials (article, 2024-10-29)
Field: Chemistry — Inorganic Chemistry

Trace benzene capture by decoration of structural defects in metal–organic framework materials Capture of trace benzene is an important and challenging task. Metal-organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti<sub>8</sub>O<sub>8</sub>(OH)<sub>4</sub>(BDC)<sub>6</sub> where H<sub>2</sub>BDC is 1,4-benzenedicarboxylic acid). At 298 K, MIL-125-Zn exhibits a benzene uptake of 7.63 mmol g<sup>-1</sup> at 1.2 mbar and 5.33 mmol g<sup>-1</sup> at 0.12 mbar, and breakthrough experiments confirm the removal of trace benzene (from 5 to <0.5 ppm) from air (up to 111,000 min g<sup>-1</sup> of metal-organic framework), even after exposure to moisture. The binding of benzene to the defect and open Zn(II) sites at low pressure has been visualized by diffraction, scattering and spectroscopy. This work highlights the importance of fine-tuning pore chemistry for designing adsorbents for the removal of air pollutants. Benzene ; Adsorption ; Metal-organic framework ; Metal ; Materials science ; Trace metal ; Inorganic chemistry ; Chemistry ; Chemical engineering ; Environmental chemistry ; Physical chemistry ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Lanthanide and Transition Metal Complexes
Authors: Xiaotong Li | Xiaodong Cai | Chang Liu | Yeseul Kim | Trevon Badloe | Huanhuan Liu | Junsuk Rho | Shiyi Xiao
Source: Opto-Electronic Advances (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Cascaded metasurfaces enabling adaptive aberration corrections for focus scanning Scanning focused light with corrected aberrations holds great importance in high-precision optical systems. However, conventional optical systems, relying on additional dynamical correctors to eliminate scanning aberrations, inevitably result in undesired bulkiness and complexity. In this paper, we propose achieving adaptive aberration corrections coordinated with focus scanning by rotating only two cascaded transmissive metasurfaces. Each metasurface is carefully designed by searching for optimal phase-profile parameters of three coherently worked phase functions, allowing flexible control of both the longitudinal and lateral focal position to scan on any custom-designed curved surfaces. As proof-of-concept, we engineer and fabricate two all-silicon terahertz meta-devices capable of scanning the focal spot with adaptively corrected aberrations. Experimental results demonstrate that the first one dynamically scans the focal spot on a planar surface, achieving an average scanning aberration of 1.18% within the scanning range of ±30°. Meanwhile, the second meta-device scans two focal points on a planar surface and a conical surface with 2.5% and 4.6% scanning aberrations, respectively. Our work pioneers a breakthrough pathway enabling the development of high-precision yet compact optical devices across various practical domains. Focus (optics) ; Optics ; Physics ; Computer science Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Optical Imaging Technologies
Authors: Yingjie Li | Zhen Wu | Qiang‐Shuai Gu | Tingting Fan | Ming-Hao Duan | Lihong Wu | Yutao Wang | Jie Wu | Feng Fu | Fan Sang | A Peng | Yuyang Jiang | Xin‐Yuan Liu | Jin‐Shun Lin
Source: Journal of the American Chemical Society (article, 2024-12-03)
Field: Chemistry — Organic Chemistry

Catalytic Intermolecular Asymmetric [2π + 2σ] Cycloadditions of Bicyclo[1.1.0]butanes: Practical Synthesis of Enantioenriched Highly Substituted Bicyclo[2.1.1]hexanes The high percentage of sp<sup>3</sup>-hybridized carbons and the presence of chiral carbon centers could contribute to increased molecular complexity, enhancing the likelihood of clinical success of drug candidates. Three-dimensional (3D) bridged motifs have recently garnered significant interest in medicinal chemistry. Bicyclo[2.1.1]hexanes (BCHs) are emerging 3D benzene bioisosteres, but the synthesis of chiral, highly substituted BCHs has been underexplored. Herein, we disclose the Lewis acid-catalyzed asymmetric intermolecular [2π + 2σ] cycloaddition of bicyclo[1.1.0]butanes with coumarins, 2-pyrone, or chromenes to access diverse enantioenriched 1,2,3,4-tetrasubstituted BCHs bearing vicinal tertiary-quaternary stereocenters. The key to success is the introduction of chiral bisoxazoline ligands to effectively suppress the side reactions, inhibit significant racemic background reactions, and fine-tune the reactivity and regio-, enantio-, and diastereoselectivities of the reactions. The resulting BCHs hold significant potential as benzene bioisosteres in the synthesis of chiral BCHex-Sonidegib and BCHex-BMS-202, mimicking the anticancer drug Sonidegib and the PD-1/PD-L1 inhibitor BMS-202, respectively. The outcome highlights the positive impact of bioisosteric replacement on physicochemical properties, while maintaining comparable antitumor activity to their aryl-containing counterparts. Bicyclic molecule ; Chemistry ; Intermolecular force ; Catalysis ; Organic chemistry ; Combinatorial chemistry ; Stereochemistry ; Molecule Oxidative Organic Chemistry Reactions ; Organic Chemistry Cycloaddition Reactions ; Asymmetric Synthesis and Catalysis
Authors: Roham Ghanbari | Ehsan Nazarzadeh Zare‬
Source: Coordination Chemistry Reviews (article, 2024-07-16)
Field: Materials Science — Materials Chemistry

Engineered MXene-polymer composites for water remediation: Promises, challenges and future perspective Chemistry ; Environmental remediation ; Perspective (graphical) ; Polymer ; Nanotechnology ; Composite material ; Organic chemistry ; Contamination MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Graphene research and applications