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SSRN 2025年

作者： Shivakumar, Sashank Luo, Jian Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California La Jolla San DiegoCA92093 United States Program in Materials Science and Engineering University of California La Jolla San DiegoCA92093 United States

Refractory compositionally complex alloy (RCCA) NbMoTaW with a well-dispersed compositionally complex carbide (CCC) reinforcing secondary phase is made through high-energy ball milling (HEBM) and ultrafast high-temperature sintering (UHS). Stearic acid is used as a process control agent (PCA) for HEBM and a carbon source to form a controllable fraction (~2-20 vol%) of CCC in-situ via reactive synthesis. Ultrahigh heating rates of ~100 °C/s enable sintering of dense (~93-97 % relative densities) bulk compacts of RCCA-CCA composites at ~1850 °C in ~70 seconds. With the addition of 0.1-0.75 wt% PCA, ultrafast sintering enables the formation of a favorable P m1 subcarbide CCC phase, (Nb0.37Mo0.11Ta0.39W0.13)2C. A thermodynamic model is developed to explain the observed Nb and Ta enrichments in (Nb0.37Mo0.11Ta0.39W0.13)2C. An additional rock-salt monocarbide CCC phase forms with more carbon source addition (1 wt% PCA). The well-dispersed and fine-grained CCC precipitates result in grain size refinement and a corresponding increase in hardness. © 2025, The Authors. All rights reserved.

关键词： Grain refinement

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Development of flexible Li-ion batteries for flexible electronics

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InfoMat 2020年第5期2卷 866-878页

作者： Yifan Zhao Juchen Guo Materials Science and Engineering Program University of California–RiversideRiversideCalifornia Department of Chemical and Environmental Engineering University of California–RiversideRiversideCalifornia

We provide a critical review on the recent development of flexible lithium-ion batteries(FLIBs)for flexible electronic *** innovative designs of cell configuration for bendable and stretchable FLIBs,selection of active materials,and evaluation methods for FLIBs are *** grand challenges for FLIBs are energy density and scale-up fabrication as demonstrated in the ***,the lack of quantitative evaluation methods for FLIBs'performance and nondestructive tools to probe the mechanical degradation may significantly hinder the development of FLIB *** for future research directions,based on the current state of progress,are discussed.

关键词： flexible electronic devices flexible Li-ion batteries nondestructive probe

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A Data-driven Framework to Accelerate the Discovery of Hybrid Cathode Materials for Metal-based Batteries

arXiv

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arXiv 2024年

作者： Biby, Ahmed H. Rich, Benjamin S. Musgrave, Charles B. Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States Department of Chemistry University of Colorado Boulder BoulderCO80309 United States Department of Chemical Engineering University of Utah Salt Lake CityUT84112 United States Department of Materials Science and Engineering University of Utah Salt Lake CityUT84112 United States

Selecting materials for hybrid cathodes for batteries, which involve a combination of intercalation and conversion materials, has gained interest due to their combined synergistic and compromised properties that are not attainable by their homogeneous counterparts. Herein, we present a data-driven, chemistry-agnostic, and inverse material design framework for discovering hybrid cathode materials (HCMs) for metal-based batteries. This framework systematically explores the potential materials space for any given working ion, evaluates the candidate’s stability, and identifies the growth modes/adsorption of the components for a stable hybrid cathode. To demonstrate the application of the framework and its various possible outcomes, we performed a case study, for which the main design objective was to discover HCMs with an average gravimetric energy density surpassing that of the widely used high energy density NMC333 cathode material. The framework identified LiCr4GaS8-Li2S as a promising HCM that achieves an average energy density of 1,424 Wh/kg (on a lithiated cathode basis) that exceeds NMC333’s maximum theoretical energy density of 1,028 Wh/kg. The identified material has several additional desirable features: 1) possession of thermodynamically stable lithiated and delithiated intercalation and conversion phases;2) minimal volume change, upon (de)lithiation, that mitigates the high-volume change of the conversion material;3) high energy density that ameliorates the low energy density of the intercalation material;4) ability of the intercalation component to act as both a conductive additive and immobilizer of S, while simultaneously contributing to the total cathode energy density;5) the intercalation material serves as an ideal support for the soft sulfur species and finally, 6) we anticipate that the life span, self-discharge, mechanical integrity, and capacity fading are better than those of conventional Li-S batteries. The developed framework was instrumental f

关键词： Lithium compounds

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Recent progress in organic solar cells(PartⅠmaterial science)

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science China Chemistry 2022年第8期65卷 224-268页

作者： Yahui Liu Bowen Liu Chang-Qi Ma Fei Huang Guitao Feng Hongzheng Chen Jianhui Hou Lingpeng Yan Qingya Wei Qun Luo Qinye Bao Wei Ma Wei Liu Weiwei Li Xiangjian Wan Xiaotian Hu Yanchun Han Yaowen Li Yinhua Zhou Yingping Zou Yiwang Chen Yongfang Li Yongsheng Chen Zheng Tang Zhicheng Hu Zhi-Guo Zhang Zhishan Bo College of Textiles&Clothing State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao 266071China Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of SciencesSuzhou 215123China Institute of Polymer Optoelectronic Materials and Devices State Key Laboratory of Luminescent Materials and DevicesSouth China University of TechnologyGuangzhou 510640China Beijing Advanced Innovation Center for Soft Matter Science and Engineering&State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Silicon Materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou 310027China Beijing National Laboratory for Molecular Sciences Institute of ChemistryChinese Academy of SciencesBeijing 100190China State Key Laboratory of Powder Metallurgy College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China School of Physics and Electronic Science East China Normal UniversityShanghai 200241China State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory and Institute of Elemento-Organic Chemistry Key Laboratory of Functional Polymer MaterialsCollege of ChemistryNankai UniversityTianjin 300071China College of Chemistry/Institute of Polymers and Energy Chemistry(IPEC) Nanchang UniversityNanchang 330031China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Laboratory of Advanced Optoelectronic Materials College of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China Center for Advanced Low-Dimension Materials State Key Laboratory for Modification of Chemical Fibers and Polymer Material

During past several years,the photovoltaic performances of organic solar cells(OSCs)have achieved rapid progress with power conversion efficiencies(PCEs)over 18%,demonstrating a great practical application *** development of material science including conjugated polymer donors,oligomer-like organic molecule donors,fused and nonfused ring acceptors,polymer acceptors,single-component organic solar cells and water/alcohol soluble interface materials are the key research topics in OSC ***,the recent progress of these aspects is systematically ***,the current problems and future development are also discussed.

关键词： organic solar cells power conversion efficiency photovoltaic materials polymer solar cells

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Reusable Hydrogen Storage Tank with Flange Design

Reusable Hydrogen Storage Tank with Flange Design

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International Conference on Applied System Innovation (ICASI)

作者： Yun-Qi Li Hsuan-Jung Chen Hsi-Wen Yang Chih-Yuan Chen Shao-Fu Chang Ssu-Ying Chen Chien-Chon Chen College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Department of Chemistry Michigan State University MI USA Department of Materials Engineering National United University Miaoli Taiwan Graduate Institute of Intellectual Property National Taipei University of Technology Taiwan Department of Energy Engineering National United University Miaoli Taiwan

ISBN: (数字)9798350394924

ISBN: (纸本)9798350394931

For how to store and transport hydrogen, the first thought is to store hydrogen directly in the cylinder. However, this method is not desirable, because generally at least 700 atm high pressure, the hydrogen contained in the cylinder to be useful. Therefore it is very unsafe at such high pressures. In This paper, we design and production of a new generation of solid-state hydrogen storage and discharge container. The goal of “development of solid-state hydrogen storage technology” is to break through the bottlenecks of hydrogen storage technology safety, hydrogen storage density, high-efficiency hydrogen absorption and release, transportation safety, and engineering practice.

关键词： Technological innovation Hydrogen storage Temperature Surface resistance Hydrogen Transportation Production

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Introducing self-healing properties to polyethersulfone (PES) membrane via poly(vinyl alcohol)/ polyacrylic acid (PVA/PAA) surface coating

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Chemosphere 2024年 349卷 140772页

作者： Lim, Yi Heng Wong, Eng Cheong Chong, Woon Chan Mohammad, Abdul Wahab Koo, Chai Hoon Lau, Woei Jye Department of Chemical Engineering Lee Kong Chian Faculty of Engineering and Science Universiti Tunku Abdul Rahman Sungai Long Campus Jalan Sungai Long Cheras Selangor Kajang43000 Malaysia Centre for Advanced and Sustainable Materials Research Universiti Tunku Abdul Rahman Sungai Long Campus Jalan Sungai Long Cheras Selangor Kajang43000 Malaysia Chemical and Water Desalination Program College of Engineering University of Sharjah Sharjah27272 United Arab Emirates Chemical Engineering Programme Faculty of Engineering and Built Environment Universiti Kebangsaan Malaysia Selangor Bangi43600 Malaysia Faculty of Chemical and Energy Engineering Universiti Teknologi Malaysia Johor Johor Bahru81310 Malaysia

During membrane filtration, it is inevitable that a membrane will experience physical damage, leading to a loss of its integrity and a decrease in separation efficiency. Hence, the development of a water-responsive membrane capable of healing itself autonomously after physical damage is significantly important in the field of water filtration. Herein, a water-enabled self-healing composite polyethersulfone (PES) membrane was synthesized by coating the membrane surface using a mixed solution composed of poly (vinyl alcohol) and polyacrylic acid (PVA-PAA). The self-healing efficiency of the coated PES membrane was examined based on the changes in water flux at three stages which are pre-damaged, post-damaged, and post-healing. The self-healing process was initiated by the swelling of the water-responsive PVA and PAA, followed by the formation of reversible hydrogen bonds, completing the self-healing process. The coated PES membrane with three layers of PVA-PAA coatings (at 3:1 ratio) demonstrated high water flux and remarkable self-healing efficiency of up to 98.3%. The self-healing capability was evidenced by the morphology of the membrane observed via scanning electron microscope (SEM). The findings of this investigation present a novel architecture approach for fabricating self-healing membranes using PVA-PAA, in addition to other relevant parameters as reported. © 2023 Elsevier Ltd

关键词： Membranes

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On the mechanism behind the enhanced solubility of glibenclamide in aqueous ionic liquid solution

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Journal of Molecular Liquids 2025年 422卷

作者： Murnikova, Žyginta Klimavicius, Vytautas Mocci, Francesca Laaksonen, Aatto Aidas, Kęstutis Institute of Chemical Physics Faculty of Physics Vilnius University Vilnius10257 Lithuania Department of Chemical and Geological Sciences University of Cagliari Monserrato09042 Italy Department of Materials and Environmental Chemistry Arrhenius Laboratory Stockholm University Stockholm10691 Sweden Energy Engineering Division of Energy Science Luleå University of Technology Luleå97187 Sweden Center of Advanced Research in Bionanoconjugates and Biopolymers "Petru Poni" Institute of Macromolecular Chemistry Iasi700469 Romania State Key Laboratory of Materials-Oriented and Chemical Engineering Nanjing Tech University Nanjing211816 China

The aim of the present study was to dissect the nature of intermolecular interactions leading to the improved solubility of glibenclamide in an aqueous solution of the choline tryptophanate, [Cho][Trp], ionic liquid. To this end, experimental [Figure presented] NMR measurements and computational modeling employing classical molecular dynamics (MD) simulations and combined quantum mechanics/molecular mechanics (QM/MM) models were carried out. Samples of glibenclamide dissolved in water and in an aqueous mixture of [Cho][Trp] were scrutinized both experimentally and computationally. MD simulations revealed that the constituent ions of the ionic liquid condensed around the drug molecule pushing water molecules away. Nevertheless, virtually no specific hydrogen bonding interactions between glibenclamide and the ions were formed. The hydrotropic activity of the [Cho][Trp] ionic liquid thus occurs through the formation of dynamic aggregates between the solute and the ions, which screen the hydrophobic glibenclamide from polar water molecules. Experimental [Figure presented] NMR measurements have shown that the largest changes in chemical shifts were registered for protons in the benzene rings of glibenclamide, implying that these are the main sites of interaction with the ions of the ionic liquid – a conclusion well-corroborated by the results of MD simulations. The good qualitative agreement between the computational QM/MM-based and experimental NMR spectra of glibenclamide in an aqueous solution and in aqueous mixture of [Cho][Trp] provides support to the structural results. © 2025 Elsevier B.V.

关键词： Solubility

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Impact of Morphological and Structural Properties of Submicron Core-Shell Fe-Silica Particles on High-Current Power Converter Performance in Electronics

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ACS Omega 2025年第22期10卷 23387-23396页

作者： Ratnasari, Delyana Septiani, Eka Lutfi Nandiyanto, Asep Bayu Dani Cao, Kiet Le Anh Hirano, Tomoyuki Okuda, Nobuhiro Matsumoto, Hiroyuki Ogi, Takashi Chemical Engineering Program Department of Advanced Science and Engineering Graduate School of Advanced Science and Engineering Hiroshima University 1-4-1 Kagamiyama Hiroshima Higashi-Hiroshima 739-8527 Japan Program Studi Teknik Kimia Fakultas Pendidikan Matematika dan Ilmu Pengetahuan Alam Universitas Pendidikan Indonesia Jl. Setiabudhi No. 229 West Java Bandung 40154 Indonesia Materials Research Center Technology & Intellectual Property HQ TDK Corporation 570-2 Matsugashita Minami-Hadori Chiba Narita 286-8588 Japan

As the demand for energy-efficient solutions grows in industries such as electric vehicles and renewable energy systems, the need for high-current power converters, powder core inductors, has become increasingly critical. These converters are essential for managing the flow of energy while maintaining efficiency under demanding conditions. However, achieving the necessary performance, particularly in terms of energy storage and minimizing energy losses, requires advanced materials with tailored magnetic properties. This study addresses these needs by introducing a novel class of magnetic materials, i.e., submicrometer-sized silica-coated iron (Fe@SiO2) particles. These particles are produced through a one-step aerosol process, enabling precise control over particle morphology, size, and structural characteristics. The tuned Fe@SiO2 particles demonstrated improved packing density and saturation current as well as reduced eddy current losses, significantly boosting the stability and efficiency of power converters to meet the demands of modern high-current electronic systems. This research highlights the importance of advanced magnetic materials in the ongoing evolution of power electronics, offering new possibilities for more efficient and reliable power conversion systems in a range of applied electronic technologies. © 2025 The Authors. Published by American chemical Society.

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Measuring 3D Chemistry at 1 nm Resolution with Fused Multi-Modal Electron Tomography

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1394-1395页

作者： Schwartz, Jonathan Di, Zichao Wendy Jiang, Yi Cho, Min Gee Qian, Yiwen Gu, Junsi Rozeveld, Steve Ercius, Peter Fessler, Jeffrey A. Xu, Ting Scott, Mary Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Mathematics and Computer Science Division Argonne National Laboratory Lemont IL United States Advanced Photon Source Argonne National Laboratory Lemont IL United States Department of Materials Science and Engineering University of California at Berkeley Berkeley CA United States National Center for Electron Microscopy Lawrence Berkeley National Laboratory Berkeley CA United States Dow Chemical Co. Midland MI United States Department of Electrical Engineering and Computer Science University of Michigan Ann Arbor MI United States Materials Science Division Lawrence Berkeley National Laboratory Berkeley CA United States Applied Physics Program University of Michigan Ann Arbor MI United States

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Simulation of Illipe Butter Purification Originated from West Kalimantan by SuperPro Designer 3

Simulation of Illipe Butter Purification Originated from Wes...

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3rd Borneo International Conference on Applied Mathematics and engineering 2020, BICAME 2020

作者： Ramadhani, Nurul Hikmah Darmawan, Muhammad Arif Perdana Harahap, Andre Fahriz Arya Ramadhan, Muhammad Yusuf Silalahi, Ursula Chriseva Gozan, Misri Bioprocess Engineering Program Department of Chemical Engineering Faculty of Engineering Universitas Indonesia Depok16424 Indonesia School of Environmental Science Universitas Indonesia Jl. Salemba Raya No.4 Jakarta10430 Indonesia

Tengkawang is one of the commodities of non-timber forest products which has been a life of support for people around the forest. Seeds produced by Tengkawang trees are one of the export commodities. However, unfortunately, the process of exporting Tengkawang seeds abroad often requires a long time to reduce the quality of the Tengkawang seeds. Processing of Tengkawang seeds into oil is asolution to the decline in quality of Tengkawang seeds. Like standard crude vegetable oil, Tengkawang oil also contains impurities. Therefore, a purification process to remove these impurities is needed. This research was conducted to produce purified Tengkawang fat optimally. Purification stagesinclude degumming, neutralization and bleaching. This research will focus on the simulation of purified Tengkawang fat production. In this case, the simulation is carried out as an estimator of the feasibility value roughly whether a fat purification plant can be realized or not. © Publishedunder licence by IOP Publishing Ltd.

关键词： Purification

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