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Scaled-up synthesis of defect-rich layered double hydroxide monolayers without organic species for efficient oxygen evolution reaction

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Green Energy & Environment 2022年第5期7卷 975-982页

作者： Haoyuan Chi Jingwen Dong Tian Li Sha Bai Ling Tan Jikang Wang Tianyang Shen Guihao Liu Lihong Liu Luyi Sun Yufei Zhao Yu-Fei Song State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing100029China College of Chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing100875China Polymer Program Institute of Materials Science and Department of Chemical&Biomolecular EngineeringUniversity of ConnecticutStorrsConnecticut06269USA Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing100029China

The scaled-up synthesis of organic-free monolayer nanomaterials is highly desirable,especially in obtaining green energy by *** this study,a method for the scaled-up synthesis of the series of monolayer layered double hydroxides(LDHs)without the addition of organic solvents is reported via the separate nucleation and aging steps *** resulting monolayer LDHs with the thicknesses of less than 1 nm showed a narrow thickness distribution.X-ray absorption fine-structure revealed that monolayer NiFe-LDH nanosheets have a number of oxygen and metal vacancies *** a practical application,monolayer NiFe-LDH nanosheets containing defects showed an enhanced electrocatalytic water oxidation activity compared with that of bulk *** functional theory calculations uncovered that excellent catalytic activity is attributed to vacancies *** proposed method is an economical and universally applicable strategy for the scaled-up production of monolayer LDHs.

关键词： process synthesis monolayer

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AI for organic and polymer synthesis

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science China Chemistry 2024年第8期67卷 2461-2496页

作者： Xin Hong Qi Yang Kuangbiao Liao Jianfeng Pei Mao Chen Fanyang Mo Hua Lu Wen-Bin Zhang Haisen Zhou Jiaxiao Chen Lebin Su Shuo-Qing Zhang Siyuan Liu Xu Huang Yi-Zhou Sun Yuxiang Wang Zexi Zhang Zhunzhun Yu Sanzhong Luo Xue-Feng Fu Shu-Li You Center of Chemistry for Frontier Technologies Department of ChemistryZhejiang UniversityHangzhou 310027China Center of Basic Molecular Science Department of ChemistryTsinghua UniversityBeijing 100084China Guangzhou National Laboratory Guangzhou 510005China Center for Quantitative Biology Academy for Advanced Interdisciplinary StudiesPeking UniversityBeijing 100871China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200433China School of Materials Science and Engineering Peking UniversityBeijing 100871China Beijing National Laboratory for Molecular Sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China AI for Science(AI4S)-Preferred Program Shenzhen Graduate SchoolPeking UniversityShenzhen 518055China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China Department of Chemical Sciences National Natural Science Foundation of ChinaBeijing 100085China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

Recent years have witnessed the transformative impact from the integration of artificial intelligence with organic and polymer synthesis. This synergy offers innovative and intelligent solutions to a range of classic problems in synthetic chemistry. These exciting advancements include the prediction of molecular property, multi-step retrosynthetic pathway planning, elucidation of the structure-performance relationship of single-step transformation, establishment of the quantitative linkage between polymer structures and their functions, design and optimization of polymerization process, prediction of the structure and sequence of biological macromolecules, as well as automated and intelligent synthesis platforms. Chemists can now explore synthetic chemistry with unprecedented precision and efficiency, creating novel reactions, catalysts, and polymer materials under the datadriven paradigm. Despite these thrilling developments, the field of artificial intelligence(AI) synthetic chemistry is still in its infancy, facing challenges and limitations in terms of data openness, model interpretability, as well as software and hardware support. This review aims to provide an overview of the current progress, key challenges, and future development suggestions in the interdisciplinary field between AI and synthetic chemistry. It is hoped that this overview will offer readers a comprehensive understanding of this emerging field, inspiring and promoting further scientific research and development.

关键词： organic synthesis polymer synthesis machine learning prediction chemical database automated synthesis

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Photolithography Patterning of Organic Light-Emitting Diodes Using Solvent Resistant Electron Transport Materials

Photolithography Patterning of Organic Light-Emitting Diodes...

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International Symposium, Seminar, and Exhibition, Display Week 2024

作者： Yu, Hyunjin Yeong So, Eun Eun, Kyunghyun Jun Jung, Byung Kim, Myungwoong Lee, Jin-Kyun Yeob Lee, Jun School of Chemical Engineering Sungkyunkwan University 2066 Seobu-ro Jangan-gu Suwon-si Gyeonggi-do16419 Korea Republic of Department of Materials Science and Engineering University of Seoul Seoul02504 Korea Republic of Department of Chemistry and Chemical Engineering Inha University Incheon22212 Korea Republic of Program in Environment and Polymer Engineering Inha University 100 Inha-ro Michuhol-gu Incheon22212 Korea Republic of

In this paper, we develop a novel approach to achieve ultra-high resolution in organic light-emitting diodes (OLEDs) through a photolithography patterning process. It is important to apply a solvent resistant electron transport layer (ETL) in the photolithography pattering of OLED because of solution coating process of photoresist on the ETL. Therefore, a solvent resistant ETL named 2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9′-spirobi[fluorene] (SBF-Trz) was developed and employed as the ETL of OLEDs. The SBF-Trz demonstrated excellent solvent resistance during photolithography process and enabled device performances comparable to those of the conventional OLED without any photolithography process. It was found that the SBF-Trz ETL is appropriate as the ETL of the OLED patterned by photolithography due to good electron transport property, good stability, and good solvent resistance. © 2024, John Wiley and Sons Inc. All rights reserved.

关键词： Reactive ion etching

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Biomass-Based Discrete Furan Oligomers as Materials for Electrochromic Devices

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ACS Sustainable Chemistry and engineering 2024年第1期12卷 459-469页

作者： Atayde, Eduardo C. Fong, Guan-Lun Yeh, Jyun-Yi Matsagar, Babasaheb M. Wang, Yu-Cheng Chen, De-Chian Peng, Chi-How Li, Yi-Pei Yamauchi, Yusuke Ho, Kuo-Chuan Wu, Kevin C.-W. Molecular Science and Technology Program Taiwan International Graduate Program (TIGP-MST) Academia Sinica No. 128 Sec. 2 Academia Road Taipei 11529 Taiwan Department of Chemistry National Tsing Hua University No. 101 Sec. 2 Kuang-Fu Road Hsinchu 30013 Taiwan Department of Chemical Engineering National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan Sustainable Chemical Science and Technology Program Taiwan International Graduate Program (TIGP-SCST) Academia Sinica No. 128 Sec. 2 Academia Road Taipei 11529 Taiwan School of Chemical Engineering and Australian Institute for Bioengineering and Nanotechnology (AIBN) The University of Queensl Brisbane 4072 QLD Australia Department of Materials Process Engineering Graduate School of Engineering Nagoya University Nagoya 464-8603 Japan Institute of Polymer Science and Engineering National Taiwan University No.1 Sec. 4 Roosevelt Rd. Taipei 10617 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University No. 135 Yuandong Rd. Taoyuan 320 Taiwan

Electrochromic devices (ECDs) are materials that can undergo reversible changes in transmittance when exposed to different applied potentials. While many conjugated heterocyclic oligomers, such as oligothiophenes, have been developed for this purpose, there is no reported study on the use of discrete oligomeric furans as ECD materials. In this work, we introduce a furan trimer that can be utilized as a discrete electrochromic material, which transitions from light yellow to red and has a very high coloration efficiency of 1940 cm²/C at 507 nm. We propose that the reversible π-stack formation of the oligomer radical cations is behind this phenomenon, as evidenced by both experimental and computational results. The derivability of this oligomer from biomass and its facile synthesis make it an interesting alternative for other existing organic electrochromic materials. © 2023 American Chemical Society

关键词： electrochromism furan oligomer hydroxyalkylation−alkylation reaction solvatochromism π-stacks

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Molecular simulation-guided and physics-informed mechanistic modeling of multifunctional polymers

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Acta Mechanica Sinica 2021年第5期37卷 725-745,I0002页

作者： Guang Chen Weikang Xian Qiming Wang Ying Li Department of Mechanical Engineering University of ConnecticutStorrsCT 06269USA Sonny Astani Department of Civil and Environmental Engineering University of Southern CaliforniaLos AngelesCA 90089USA Department of Mechanical Engineering and Polymer Program Institute of Materials ScienceUniversity of ConnecticutStorrsCT 06269USA

polymeric materials have a broad range of mechanical and physical *** have been widely used in material science,biomedical engineering,chemical engineering,and mechanical *** introduction of active elements into the soft matrix of polymers has enabled much more diversified functionalities of polymeric materials,such as self-healing,electroactive,magnetosensitive,pH-responsive,and many *** further enable applications of these multifunctional polymers,a mechanistic modeling method is required and of great significance,as it can provide links between materials’micro/nano-structures and their macroscopic mechanical *** this goal,molecular simulation plays an important role in understanding the deformation and evolution of polymer networks under external loads and *** molecular insights provide physical guidance in the formulation of mechanistic-based continuum models for multifunctional *** this perspective,we present a molecular simulation-guided and physics-informed modeling framework for polymeric ***,the physical theory for polymer chains and their networks is briefly *** serves as the foundation for mechanistic-models of polymers,linking their chemistry,physics,and mechanics ***,the deformation of the polymer network is used to derive the strain energy density ***,the corresponding continuum models can capture the intrinsic deformation mechanisms of polymer *** then highlight several representative examples across multiphysics coupling problems to describe in detail for this proposed *** but not least,we discuss potential challenges and opportunities in the modeling of multifunctional polymers for future research directions.

关键词： Molecular simulation Multiphysics modeling Multiscale modeling Multifunctional polymers Soft Matter

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Advancements in sludge-to-energy strategies for rubber processing industries: a comprehensive review

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International Journal of Energy and Water Resources 2025年第2期9卷 1189-1199页

作者： Tin, K.K. Taweepreda, W. Singh, A. Kumar, A. Environmental Management Faculty of Environmental Management Prince of Songkla University Hat-Yai Songkhla 90110 Thailand Polymer Science Program Division of Physical Science Faculty of Science Prince of Songkla University Hat-Yai Songkhla 90110 Thailand Department of Zoology Swami Shraddhanand College University of Delhi Delhi 110036 India Department of Mechanical Engineering Delhi Technological University Delhi 110042 India Nodal Centre of Excellence in Energy Transition (NCEET) Delhi Technological University Delhi 110042 India

This study explores the energy potential of rubber sludge, highlighting its calorific value (13.92–22.15 MJ/kg) and significant organic content, making it a promising feedstock for renewable energy. Techniques such as pyrolysis, anaerobic digestion, combustion, and gasification can effectively harness this potential. Comparative analysis indicates that rubber sludge has an energy recovery potential comparable to or even higher than lignite. Thermochemical processes, including hydrothermal liquefaction and gasification, offer benefits such as reduced waste toxicity and volume, alongside energy and material recovery. However, challenges such as high costs, technical difficulties, and potential pollutant emissions persist. Cost–benefit analyses indicate economic feasibility under specific conditions like high conversion efficiency and favorable policies. Current global practices in rubber sludge management vary, with countries like Denmark, Germany, and Sweden implementing advanced treatments, while others face challenges in coordination and technology. Future research emphasizes improving conversion technologies and integrating hybrid energy systems to enhance energy recovery and reduce environmental impact. The study underscores the importance of life cycle assessments in optimizing the sustainability of rubber sludge-to-energy processes and advocates for innovative approaches through Design Thinking to develop tailored solutions. This comprehensive review highlights the potential of rubber sludge as a renewable energy source and provides a framework for future research and policy development. © The Author(s), under exclusive licence to Iranian Society of Environmentalists (IRSEN) and science and Research Branch, Islamic Azad University 2024.

关键词： Energy Factory Rubber processing Sludge Sustainable

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Structure–Property Relationships of Epoxidized Natural Rubber Vulcanizates

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Journal of Macromolecular science, Part B: Physics 2022年第12期61卷 1517-1534页

作者： Hayeemasae, Nabil Soontaranon, Siriwat Thainiramit, Panu Masa, Abdulhakim Department of Rubber Technology and Polymer Science Faculty of Science and Technology Prince of Songkla University Pattani Campus Pattani Thailand Faculty of Science and Technology Prince of Songkla University Pattani Campus Pattani Thailand Synchrotron Light Research Institute Nakhon Ratchasima Thailand Faculty of Science Prince of Songkla University Songkhla Thailand Rubber Engineering and Technology Program International College Prince of Songkla University Songkhla Thailand

The effects of epoxide content on the microstructure and characteristics of epoxidized natural rubber (ENR) were examined. Self-crosslinking between epoxide groups possibly occurred during the vulcanization, with C–O–C linkages in the ENR. Depending on the epoxide level, the self-crosslinking in ENR improved the maximum torque, overall crosslink density (CD) and stability at elevated temperature of the rubber. With increasing epoxide content, the moduli and tensile strengthes of the ENR also increased. The highest tensile strength was achieved at 25 mol% epoxide, exceeding that of crosslinked NR by 46%. The self-crosslinking also facilitated strain-induced crystallization (SIC), reducing the onset strain of crystallization and increasing the degree of crystallinity. Even though increased epoxide content in the NR made the crosslink network distribution less homogeneous, the CD increased so much that the thermomechanical and mechanical characteristics of ENR were improved. The C–O–C linkages from ENR self-crosslinking were also sufficient to boost the thermal stability, complementing the conventional sulfide links. © 2023 Taylor & Francis Group, LLC.

关键词： Rubber

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Two-dimensional MXenes:New frontier of wearable and flexible electronics

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InfoMat 2022年第4期4卷 1-28页

作者： Abbas Ahmed Sudeep Sharma Bapan Adak Md Milon Hossain Anna Marie LaChance Samrat Mukhopadhyay Luyi Sun Polymer Program Institute of Materials ScienceUniversity of ConnecticutStorrsConnecticutUSA Advanced Sensor and Energy Research(ASER)Lab Department of Electronic EngineeringKwangwoon UniversitySeoulSouth Korea Department of Textile and Fiber Engineering Indian Institute of TechnologyNew DelhiIndia Department of Textile Engineering Chemistry and ScienceNorth Carolina State UniversityRaleighNorth CarolinaUSA Department of Textile Engineering Khulna University of Engineering&TechnologyKhulnaBangladesh Department of Chemical and Biomolecular Engineering University of ConnecticutStorrsConnecticutUSA

Wearable electronics offer incredible benefits in mobile healthcare monitoring,sensing,portable energy harvesting and storage,human-machine interactions,etc.,due to the evolution of rigid electronics structure to flexible and stretchable ***,transition metal carbides and nitrides(MXenes)are highly regarded as a group of thriving two-dimensional nanomaterials and extraordinary building blocks for emerging flexible electronics platforms because of their excellent electrical conductivity,enriched surface functionalities,and large surface *** article reviews the most recent developments in MXene-enabled flexible electronics for wearable *** MXeneenabled electronic devices designed on a nanometric scale are highlighted by drawing attention to widely developed nonstructural attributes,including 3D configured devices,textile and planer substrates,bioinspired structures,and printed ***,the unique progress of these nanodevices is highlighted by representative applications in healthcare,energy,electromagnetic interference(EMI)shielding,and humanoid control of *** emerging prospects of MXene nanomaterials as a key frontier in nextgeneration wearable electronics are envisioned and the design challenges of these electronic systems are also discussed,followed by proposed solutions.

关键词： flexible electronics MXene nanostructures wearable electronics

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Graphene-functionalized textile composites for wearable Joule heating applications

Advanced Nanocomposites

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Advanced Nanocomposites 2025年 2卷 108-123页

作者： Omar Faruk Abbas Ahmed Ashfaqul Hoque Khadem Lu Jia Luyi Sun Department of Materials Science and Engineering Binghamton University State University of New York at Binghamton NY 13902 USA Polymer Program Institute of Materials Science and Department of Chemical & Biomolecular Engineering University of Connecticut Storrs CT 06269 USA Department Mechanical Engineering College of Engineering Computing and Applied Science Clemson University Clemson SC 29634 USA College of Textile Engineering Taiyuan University of Technology Jinzhong Shanxi 030600 China

Thermal comfort is essential for maintaining physiological well-being, with textile materials traditionally serving as the primary medium for regulating heat exchange between the body and its environment. However, conventional textiles often fall short of maintaining optimal thermal balance. So, there is an increasing demand for advanced thermoregulation systems that can effectively reduce heat loss and enhance warmth, ensuring consistent comfort. Recent research has highlighted the promise of advanced functional materials, especially graphene and its composites, for modifying textiles to improve thermal properties. This article comprehensively reviews recent advancements in graphene-functionalized textile composites, focusing on their applications in wearable Joule heaters designed for personalized thermal comfort or thermal therapy. Various graphene-functionalized textile composites are reviewed from the perspectives of material properties, processing strategies and device fabrication methods. Key challenges and future opportunities are summarized for graphene-functionalized textile-based Joule heaters as innovative solutions in wearable thermal regulation.

关键词： Graphene Textile Composite Wearable electronics Joule heater

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Stretchable and Biodegradable Electrospun Pan/Pcl Blend Nanofiber Membrane for Highly Efficient Particulate Matter Filtration

SSRN

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SSRN 2023年

作者： Kang, Hong Suk Jo, Gyounglyul Kwon, Jinhyeong Department of Polymer Science and Engineering University of Massachusetts AmherstMA01003 United States 89 Yangdaegiro-gil Ipjang-myeon Seobuk-gu Chungcheongnam-do Cheonan31056 Korea Republic of Department of Polymer Science and Engineering & Program in Environmental and Polymer Engineering Inha University Incheon22212 Korea Republic of

Particulate matter (PM) is an air pollutant that poses a significant threat to human health, and efficient air filters are crucial for reducing PM pollution. However, several existing filtration materials fail under vigorous motion, such as twisting or stretching by high-velocity airflows, because of their poor mechanical properties. This study designed and fabricated a highly stretchable and biodegradable PM filtration membrane using electrospun polyacrylonitrile (PAN)/polycaprolactone (PCL) blend nanofibers. The resulting PAN/PCL air filters exhibited 100-times-enhanced stretchability and high filtration efficiency for PM2.5 (99.95%) and PM10 (99.89%), with a simultaneous low-pressure drop (121 Pa, only © 2023, The Authors. All rights reserved.

关键词： Biodegradation

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