jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Guilin Tang | Jing Liang | Wei Wu
Source: Advanced Functional Materials (article, 2023-11-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Transition Metal Selenides for Supercapacitors Abstract The advancements in high‐performance flexible energy storage devices are crucial to realize the integration and multifunctionality of wearable devices. Transition metal selenides (TMSes), possess high theoretical capacity and electrical conductivity, which hold great promise for energy storage applications. This review provides a succinct summary of the progress of TMSes as high‐performance electrode materials for supercapacitor applications. First, the energy storage mechanism of TMSes and the effective strategies for achieving high‐performance TMSes are discussed. Subsequently, the recent process of TMSes‐based supercapacitors and other multifunctional applications is summarized. This paper aims to provide the superiority of TMSes as electrode materials and their recent advances for energy devices, to promote the development of high‐performance TMSes electrode materials in the fields of energy storage. Supercapacitor ; Materials science ; Energy storage ; Nanotechnology ; Electrode ; Wearable computer ; Engineering physics ; Computer science ; Capacitance ; Embedded system ; Engineering Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; MXene and MAX Phase Materials
Authors: Ashanul Haque | Khalaf M. Alenezi | Muhammad S. Khan | Wai‐Yeung Wong | Paul R. Raithby
Source: Chemical Society Reviews (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

Non-covalent interactions (NCIs) in π-conjugated functional materials: advances and perspectives The design and development of functional materials with real-life applications are highly demanding. Understanding and controlling inter- and intra-molecular interactions provide opportunities to design new materials. A judicious manipulation of the molecular structure significantly alters such interactions and can boost selected properties and functions of the material. There is burgeoning evidence of the beneficial effects of non-covalent interactions (NCIs), showing that manipulating NCIs may generate functional materials with a wide variety of physical properties leading to applications in catalysis, drug delivery, crystal engineering, <i>etc.</i> This prompted us to review the implications of NCIs on the molecular packing, optical properties, and applications of functional π-conjugated materials. To this end, this tutorial review will cover different types of interactions (electrostatic, π-interactions, metallophilic, <i>etc.</i>) and their impact on π-conjugated materials. Attempts have also been made to delineate the effects of weak interactions on opto-electronic (O-E) applications. Conjugated system ; Covalent bond ; Chemistry ; Nanotechnology ; Materials science ; Polymer ; Organic chemistry Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Covalent Organic Framework Applications
Authors: Sebastian Gorgon | Kuo Lv | Jeannine Grüne | Bluebell H. Drummond | William K. Myers | Giacomo Londi | Gaetano Ricci | Danillo Valverde | Claire Tonnelé | Petri Murto | Alexander S. Romanov | David Casanova | Vladimir Dyakonov | Andreas Sperlich | David Beljonne | Yoann Olivier | Feng Li | Richard H. Friend | Emrys W. Evans
Source: Nature (article, 2023-08-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Reversible spin-optical interface in luminescent organic radicals Molecules present a versatile platform for quantum information science<sup>1,2</sup> and are candidates for sensing and computation applications<sup>3,4</sup>. Robust spin-optical interfaces are key to harnessing the quantum resources of materials<sup>5</sup>. To date, carbon-based candidates have been non-luminescent<sup>6,7</sup>, which prevents optical readout via emission. Here we report organic molecules showing both efficient luminescence and near-unity generation yield of excited states with spin multiplicity S > 1. This was achieved by designing an energy resonance between emissive doublet and triplet levels, here on covalently coupled tris(2,4,6-trichlorophenyl) methyl-carbazole radicals and anthracene. We observed that the doublet photoexcitation delocalized onto the linked acene within a few picoseconds and subsequently evolved to a pure high-spin state (quartet for monoradical, quintet for biradical) of mixed radical-triplet character near 1.8 eV. These high-spin states are coherently addressable with microwaves even at 295 K, with optical readout enabled by reverse intersystem crossing to emissive states. Furthermore, for the biradical, on return to the ground state the previously uncorrelated radical spins either side of the anthracene shows strong spin correlation. Our approach simultaneously supports a high efficiency of initialization, spin manipulations and light-based readout at room temperature. The integration of luminescence and high-spin states creates an organic materials platform for emerging quantum technologies. Intersystem crossing ; Excited state ; Luminescence ; Photochemistry ; Delocalized electron ; Quantum yield ; Chemistry ; Spin (aerodynamics) ; Spin states ; Photoexcitation ; Singlet fission ; Ground state ; Singlet state ; Materials science ; Chemical physics ; Atomic physics ; Optoelectronics ; Physics ; Fluorescence ; Optics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies
Authors: Meng‐Lin Tsai | Chong Wei Ong | Cheng‐Liang Chen
Source: Education for Chemical Engineers (article, 2023-05-08)
Field: Materials Science — Materials Chemistry

Exploring the use of large language models (LLMs) in chemical engineering education: Building core course problem models with Chat-GPT Computer science ; Mathematics education ; Engineering ethics ; Engineering ; Psychology Machine Learning in Materials Science ; Artificial Intelligence in Healthcare and Education
Authors: Junye Cheng | Yongheng Jin | Jinghan Zhao | Jing Qi | Bailong Gu | Jialiang Wei | Shenghui Yi | Mingming Li | Wanli Nie | Qing‐Hua Qin | Deqing Zhang | Guangping Zheng | Renchao Che
Source: Nano-Micro Letters (review, 2023-11-23)
Field: Materials Science — Materials Chemistry

From VIB- to VB-Group Transition Metal Disulfides: Structure Engineering Modulation for Superior Electromagnetic Wave Absorption The laminated transition metal disulfides (TMDs), which are well known as typical two-dimensional (2D) semiconductive materials, possess a unique layered structure, leading to their wide-spread applications in various fields, such as catalysis, energy storage, sensing, etc. In recent years, a lot of research work on TMDs based functional materials in the fields of electromagnetic wave absorption (EMA) has been carried out. Therefore, it is of great significance to elaborate the influence of TMDs on EMA in time to speed up the application. In this review, recent advances in the development of electromagnetic wave (EMW) absorbers based on TMDs, ranging from the VIB group to the VB group are summarized. Their compositions, microstructures, electronic properties, and synthesis methods are presented in detail. Particularly, the modulation of structure engineering from the aspects of heterostructures, defects, morphologies and phases are systematically summarized, focusing on optimizing impedance matching and increasing dielectric and magnetic losses in the EMA materials with tunable EMW absorption performance. Milestones as well as the challenges are also identified to guide the design of new TMDs based dielectric EMA materials with high performance. Absorption (acoustics) ; Microwave ; Heterojunction ; Dielectric ; Materials science ; Modulation (music) ; Electromagnetic radiation ; Impedance matching ; Transition metal ; Optoelectronics ; Nanotechnology ; Engineering physics ; Optics ; Electrical impedance ; Computer science ; Catalysis ; Electrical engineering ; Telecommunications ; Chemistry ; Engineering ; Physics ; Composite material ; Acoustics 2D Materials and Applications ; MXene and MAX Phase Materials ; Electromagnetic wave absorption materials
Authors: Ling Li | Lele Yang | Liuqing Yang | Chunrong He | Yuxin He | Liping Chen | Qin Dong | Huaiying Zhang | Shiyun Chen | Peng Li
Source: Chinese Medicine (review, 2023-11-08)
Field: Chemistry — Analytical Chemistry

Network pharmacology: a bright guiding light on the way to explore the personalized precise medication of traditional Chinese medicine Network pharmacology can ascertain the therapeutic mechanism of drugs for treating diseases at the level of biological targets and pathways. The effective mechanism study of traditional Chinese medicine (TCM) characterized by multi-component, multi-targeted, and integrative efficacy, perfectly corresponds to the application of network pharmacology. Currently, network pharmacology has been widely utilized to clarify the mechanism of the physiological activity of TCM. In this review, we comprehensively summarize the application of network pharmacology in TCM to reveal its potential of verifying the phenotype and underlying causes of diseases, realizing the personalized and accurate application of TCM. We searched the literature using "TCM network pharmacology" and "network pharmacology" as keywords from Web of Science, PubMed, Google Scholar, as well as Chinese National Knowledge Infrastructure in the last decade. The origins, development, and application of network pharmacology are closely correlated with the study of TCM which has been applied in China for thousands of years. Network pharmacology and TCM have the same core idea and promote each other. A well-defined research strategy for network pharmacology has been utilized in several aspects of TCM research, including the elucidation of the biological basis of diseases and syndromes, the prediction of TCM targets, the screening of TCM active compounds, and the decipherment of mechanisms of TCM in treating diseases. However, several factors limit its application, such as the selection of databases and algorithms, the unstable quality of the research results, and the lack of standardization. This review aims to provide references and ideas for the research of TCM and to encourage the personalized and precise use of Chinese medicine. Systems pharmacology ; Mechanism (biology) ; Traditional Chinese medicine ; Medicine ; Pharmacology ; Computer science ; Computational biology ; Alternative medicine ; Drug ; Biology Chromatography in Natural Products ; Traditional Chinese Medicine Analysis ; Plant-based Medicinal Research
Authors: Pragati A. Shinde | Qaisar Abbas | Nilesh R. Chodankar | Katsuhiko Ariga | Mohammad Ali Abdelkareem | A.G. Olabi
Source: Journal of Energy Chemistry (review, 2023-01-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strengths, weaknesses, opportunities, and threats (SWOT) analysis of supercapacitors: A review SWOT analysis ; Environmental economics ; Energy storage ; Strengths and weaknesses ; Supercapacitor ; Business ; Risk analysis (engineering) ; Power (physics) ; Marketing ; Economics Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Electrocatalysts for Energy Conversion
Authors: Stefan Chmiela | Valentín Vassilev-Galindo | Oliver T. Unke | Adil Kabylda | Huziel E. Sauceda | Alexandre Tkatchenko | Klaus‐Robert Müller
Source: Science Advances (article, 2023-01-11)
Field: Materials Science — Materials Chemistry

Accurate global machine learning force fields for molecules with hundreds of atoms Global machine learning force fields, with the capacity to capture collective interactions in molecular systems, now scale up to a few dozen atoms due to considerable growth of model complexity with system size. For larger molecules, locality assumptions are introduced, with the consequence that nonlocal interactions are not described. Here, we develop an exact iterative approach to train global symmetric gradient domain machine learning (sGDML) force fields (FFs) for several hundred atoms, without resorting to any potentially uncontrolled approximations. All atomic degrees of freedom remain correlated in the global sGDML FF, allowing the accurate description of complex molecules and materials that present phenomena with far-reaching characteristic correlation lengths. We assess the accuracy and efficiency of sGDML on a newly developed MD22 benchmark dataset containing molecules from 42 to 370 atoms. The robustness of our approach is demonstrated in nanosecond path-integral molecular dynamics simulations for supramolecular complexes in the MD22 dataset. Robustness (evolution) ; Computer science ; Molecular dynamics ; Complex system ; Locality ; Statistical physics ; Force field (fiction) ; Degrees of freedom (physics and chemistry) ; Benchmark (surveying) ; Molecule ; Physics ; Artificial intelligence ; Chemistry ; Quantum mechanics Machine Learning in Materials Science ; Protein Structure and Dynamics ; Model Reduction and Neural Networks
Authors: Javier Junquera | Yousra Nahas | Sergei Prokhorenko | L. Bellaïche | Jorge Íñiguez | Darrell G. Schlom | Long‐Qing Chen | Sayeef Salahuddin | David A. Muller | Lane W. Martin | R. Ramesh
Source: Reviews of Modern Physics (article, 2023-04-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Topological phases in polar oxide nanostructures Topology provides a framework for an understanding of emergent phenomena in various fields such as the appearance of new results in the field of ferroelectrics. A historical introduction and a primer on the concepts of topology are followed by a discussion of experimental and theoretical methods that elucidate the exotic textures that appear in polar oxide nanostructures and superlattices. The complex interplay of several fundamental processes occurring on different energy scales leads to ground states that compete with one another and have large and/or novel responses with respect to external stimuli. Physics ; Topology (electrical circuits) ; Polar ; Complex oxide ; Nanostructure ; Field (mathematics) ; Superlattice ; Nanotechnology ; Oxide ; Condensed matter physics ; Quantum mechanics Multiferroics and related materials ; Electronic and Structural Properties of Oxides ; Ferroelectric and Piezoelectric Materials
Authors: Xiquan Cheng | Tongyu Li | Linlin Yan | Yang Jiao | Yingjie Zhang | Kai Wang | Zhongjun Cheng | Jun Ma | Lu Shao
Source: Science Advances (article, 2023-08-23)
Field: Materials Science — Biomaterials

Biodegradable electrospinning superhydrophilic nanofiber membranes for ultrafast oil-water separation Although membrane technology has attracted considerable attention for oily wastewater treatment, the plastic waste generated from discarded membranes presents an immediate challenge for achieving eco-friendly separation. We designed on-demand biodegradable superhydrophilic membranes composed of polylactic acid nanofibers in conjunction with polyethylene oxide hydrogels using electrospinning technology for ultrafast purification of oily water. Our results showed that the use of the polyethylene oxide hydrogels increased the number of hydrogen bonds formed between the membrane surface and water molecules by 357.6%. This converted hydrophobic membranes into superhydrophilic ones, which prevented membrane fouling and accelerated emulsion penetration through the membranes. The oil-in-water emulsion permeance of our newly designed nanofiber membranes increased by 61.9 times (2.1 × 10<sup>4</sup> liters per square meter per hour per bar) with separation efficiency >99.6%, which was superior to state-of-the-art membranes. Moreover, the formation of hydrogen bonds was found to accelerate polylactic acid biodegradation into lactic acid by over 30%, offering a promising approach for waste membrane treatment. Superhydrophilicity ; Electrospinning ; Nanofiber ; Membrane ; Materials science ; Chemical engineering ; Oil spill ; Nanotechnology ; Chemistry ; Environmental science ; Composite material ; Environmental engineering ; Contact angle Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Surface Modification and Superhydrophobicity
Authors: Janske Nel | Kamil Elkhoury | Émilie Velot | Arnaud Bianchi | Samir Acherar | Grégory Francius | Ali Tamayol | Stéphanie Grandemange | Elmira Arab‐Tehrany
Source: Bioactive Materials (review, 2023-01-02)
Field: Materials Science — Biomaterials

Functionalized liposomes for targeted breast cancer drug delivery Despite the exceptional progress in breast cancer pathogenesis, prognosis, diagnosis, and treatment strategies, it remains a prominent cause of female mortality worldwide. Additionally, although chemotherapies are effective, they are associated with critical limitations, most notably their lack of specificity resulting in systemic toxicity and the eventual development of multi-drug resistance (MDR) cancer cells. Liposomes have proven to be an invaluable drug delivery system but of the multitudes of liposomal systems developed every year only a few have been approved for clinical use, none of which employ active targeting. In this review, we summarize the most recent strategies in development for actively targeted liposomal drug delivery systems for surface, transmembrane and internal cell receptors, enzymes, direct cell targeting and dual-targeting of breast cancer and breast cancer-associated cells, e.g., cancer stem cells, cells associated with the tumor microenvironment, etc. Drug delivery ; Breast cancer ; Medicine ; Liposome ; Cancer ; Cancer research ; Targeted drug delivery ; Drug ; Cancer cell ; Drug resistance ; Cancer stem cell ; Pharmacology ; Oncology ; Internal medicine ; Biology ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Advanced biosensing and bioanalysis techniques
Authors: Yeonghun Kang | Hyunsoo Park | Berend Smit | Jihan Kim
Source: Nature Machine Intelligence (article, 2023-03-13)
Field: Chemistry — Inorganic Chemistry

A multi-modal pre-training transformer for universal transfer learning in metal–organic frameworks Computer science ; Modal ; Chemical space ; Transformer ; Transfer of learning ; Encoder ; Ranging ; Metal-organic framework ; Grid ; Artificial intelligence ; Deep learning ; Machine learning ; Materials science ; Adsorption ; Engineering ; Electrical engineering Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Danyan Wang | Zeyang Liu | Haozhu Wang | Moxin Li | L. Jay Guo | Cheng Zhang
Source: Nanophotonics (review, 2023-02-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural color generation: from layered thin films to optical metasurfaces Recent years have witnessed a rapid development in the field of structural coloration, colors generated from the interaction of nanostructures with light. Compared to conventional color generation based on pigments and dyes, structural color generation exhibits unique advantages in terms of spatial resolution, operational stability, environmental friendliness, and multiple functionality. Here, we discuss recent development in structural coloration based on layered thin films and optical metasurfaces. This review first presents fundamentals of color science and introduces a few popular color spaces used for color evaluation. Then, it elaborates on representative physical mechanisms for structural color generation, including Fabry-Pérot resonance, photonic crystal resonance, guided mode resonance, plasmon resonance, and Mie resonance. Optimization methods for efficient structure parameter searching, fabrication techniques for large-scale and low-cost manufacturing, as well as device designs for dynamic displaying are discussed subsequently. In the end, the review surveys diverse applications of structural colors in various areas such as printing, sensing, and advanced photovoltaics. Structural coloration ; Materials science ; Plasmon ; Photovoltaics ; Surface plasmon resonance ; Fabrication ; Metamaterial ; Resonance (particle physics) ; Computer science ; Optoelectronics ; Nanotechnology ; Optics ; Photonic crystal ; Photovoltaic system ; Nanoparticle ; Physics ; Engineering Metamaterials and Metasurfaces Applications ; Photonic Crystals and Applications ; Polydiacetylene-based materials and applications
Authors: Tyler B. Martin | Debra J. Audus
Source: ACS Polymers Au (review, 2023-01-18)
Field: Materials Science — Materials Chemistry

Emerging Trends in Machine Learning: A Polymer Perspective In the last five years, there has been tremendous growth in machine learning and artificial intelligence as applied to polymer science. Here, we highlight the unique challenges presented by polymers and how the field is addressing them. We focus on emerging trends with an emphasis on topics that have received less attention in the review literature. Finally, we provide an outlook for the field, outline important growth areas in machine learning and artificial intelligence for polymer science and discuss important advances from the greater material science community. Perspective (graphical) ; Field (mathematics) ; Computer science ; Artificial intelligence ; Data science ; Focus (optics) ; Engineering ethics ; Management science ; Nanotechnology ; Engineering ; Materials science ; Mathematics Machine Learning in Materials Science ; Software System Performance and Reliability ; Metabolomics and Mass Spectrometry Studies
Authors: Priyank Purohit | Akanksha Bhatt | Ravi Kumar Mittal | Magda H. Abdellattif | Thoraya A. Farghaly
Source: Frontiers in Bioengineering and Biotechnology (review, 2023-01-11)
Field: Materials Science — Polymers and Plastics

Polymer Grafting and its chemical reactions Polymer grafting is a technique to improve the morphology, chemical, and physical properties of the polymer. This technique has the potential to improve the existing conduction and properties of polymers other than charge transport; as a result, it enhances the solubility, nano-dimensional morphology, biocompatibility, bio-communication, and other property of parent polymer. A polymer's physicochemical properties can be modified even further by creating a copolymer with another polymer or by grafting. Here in the various chemical approaches for polymer grafting, like free radical, click reaction, amide formation, and alkylation have been discussed with their importance, moreover the process and its importance are covered comprehensively with their scientific explanation. The present review also covers the effectiveness of the graft-to approaches and its application in various fields, which will give reader a glimpse about polymer grafting and its uses. Polymer ; Grafting ; Biocompatibility ; Materials science ; Copolymer ; Polymer science ; Polymer chemistry ; Chemical engineering ; Nanotechnology ; Composite material Conducting polymers and applications ; Polymer Surface Interaction Studies ; Advanced Sensor and Energy Harvesting Materials