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arXiv 2022年

作者： Kang, Dongju Kang, Doeun Hwangbo, Sumin Niaz, Haider Lee, Won Bo Liu, J. Jay Na, Jonggeol School of Chemical and Biological Engineering Seoul National University Gwanak-ro 1 Gwanak-gu Seoul08826 Korea Republic of Department of Chemical Engineering and Materials Science Ewha Womans University Seoul03760 Korea Republic of Graduate Program in System Health Science and Engineering Ewha Womans University Seoul03760 Korea Republic of Department of Chemical Engineering Pukyong National University Busan48513 Korea Republic of

Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy. Promising energy storage systems (ESS), such as batteries and green hydrogen should be employed to maximize the efficiency of energy stakeholders. However, optimal decision-making, i.e., planning the leveraging between different strategies, is confronted with the complexity and uncertainties of large-scale problems. Here, we propose a sophisticated deep reinforcement learning (DRL) methodology with a policy-based algorithm to realize the real-time optimal ESS planning under the curtailed renewable energy uncertainty. A quantitative performance comparison proved that the DRL agent outperforms the scenario-based stochastic optimization (SO) algorithm, even with a wide action and observation space. Owing to the uncertainty rejection capability of the DRL, we could confirm a robust performance, under a large uncertainty of the curtailed renewable energy, with a maximizing net profit and stable system. Action-mapping was performed for visually assessing the action taken by the DRL agent according to the state. The corresponding results confirmed that the DRL agent learns the way like what a human expert would do, suggesting reliable application of the proposed methodology. Copyright © 2022, The Authors. All rights reserved.

关键词： Reinforcement learning

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Exfoliated MXene nanosheet by double layer forces for preparing magnetic adsorbents of toxic metal ions and recycling with hyperthermic effect

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Separation and Purification Technology 2024年 349卷

作者： Chen, Chih-Wei Chang, Chi-Jung Liaw, Shien-Kuei Lu, Chien-Hsing Chen, Jem-Kun Department of Materials Science and Engineering National Taiwan University of Science and Technology 43 Sec. 4 Keelung Road Taipei106 Taiwan Division of Neurosurgery Department of Surgery Chi Mei Medical Center Tainan710 Taiwan Department of Chemical Engineering Feng Chia University 100 Wenhwa Road Seatwen Taichung40724 Taiwan Department of Electronic and Computer Engineering National Taiwan University of Science and Technology Taipei10607 Taiwan Department of Obstetrics and Gynecology Taichung Veterans General Hospital Taichung40705 Taiwan Institute of Biomedical Sciences Ph.D. Program in Translational Medicine and Rong-Hsing Research Center for Translational Medicine National Chung-Hsing University Taichung940227 Taiwan

The conventional etching method for exfoliating MXene using hydrofluoric acid solution is time-consuming and inefficient in productivity. A double layer force is generated through polarization among the heterogeneous layers of MXene due to their different dielectric properties. The exfoliated MXene by the polarization method in an acidic solution was employed to synthesize magnetic MXene (MXFe) with Fe3O4 nanoparticles. MXFe was coated on polyacrylonitrile microspheres (PANs) as precursors (PAN@MXFe) by Pickering emulsion polymerization. The core@shell polyvinyltetrazole@MXFe (PVT@MXFe) was obtained as the adsorbent after subsequent cyano-tetrazole conversion of PAN@MFs for the removal of toxic metal ions. The maximum adsorption capacities of Hg(II) on the MXFe and PVT@MXFe coating 2 wt% of MXFe were 579 and 324 mg/g, respectively, indicating the high use efficiency of MXFe. At 8.5 kHz of high frequency, hyperthermia occurs on the PVT@MXFe, facilitating the desorption of the toxic metal ions from the adsorbents. Compared with reuse using an acidic solution, the PVT@MXFe can be reused repeatedly 10 times without obvious damage under the AMF. Our proposed polarization exfoliation method not only provides a novel methodology to exfoliate MXene but also develops an ideal adsorbent for universal adsorption, simple separation, stable regeneration, and low secondary pollution. © 2024 Elsevier B.V.

关键词： Synthesis (chemical)

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Porous hematite embedded C and Fe codoped graphitic carbon nitride for electrochemical detection of pineal gland hormone melatonin

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materials Today Chemistry 2023年 29卷

作者： Sebastian, N. Yu, W.-C. Balram, D. Chen, Q. Shiue, A. Noman, M.T. Amor, N. Institute of Organic and Polymeric Materials Department of Molecular Science and Engineering National Taipei University of Technology No. 1 Section 3 Zhongxiao East Road Taipei106 Taiwan Department of Electrical Engineering National Taipei University of Technology No. 1 Section 3 Zhongxiao East Road Taipei106 Taiwan School of Chemical Engineering Nanjing University of Science and Technology Nanjing210094 China Technical University of Liberec Studentská 1402/2 461 17 Liberec 1 Czech Republic

Accurate detection of melatonin, a wide-spectrum antioxidant and vital pineal gland hormone, has high significance. Hence, nanomolar-level electrochemical determination of melatonin using a novel ternary nanocomposite with outstanding electrocatalytic activity is reported in this work. Porous flower-like hematite (α-Fe2O3) nanoparticles were embedded into carbon and iron codoped graphitic carbon nitride (C-Fe-gC3N4) sonochemically to prepare the ternary nanocomposite α-Fe2O3/C–Fe-gC3N4. A thermal polymerization approach was used for the preparation of C–Fe-gC3N4, and a hydrothermal method was utilized to synthesize the α-Fe2O3 nanoparticles. Detailed materials characterization was performed to examine the properties of synthesized materials, and various electrochemical investigations based on cyclic voltammetry and differential pulse voltammetry were conducted to analyze the electrochemical performance of prepared nanocomposite toward melatonin quantification. The melatonin sensor showcased ultra-low detection limit of 4 nM and excellent selectivity, stability, reproducibility, and repeatability. Practical feasibility of melatonin detection in tart cherry, human urine, and melatonin tablets was also validated in this work. © 2023 Elsevier Ltd

关键词： Electrochemical sensors

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Ultralong organic room-temperature phosphorescence of electrondonating and commercially available host and guest molecules through efficient Förster resonance energy transfer

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science China Chemistry 2021年第5期64卷 739-744页

作者： Yeling Ning Junfang Yang Han Si Haozhong Wu Xiaoyan Zheng Anjun Qin Ben Zhong Tang State Key Laboratory of Luminescent Materials and Devices Guangdong Provincial Key Laboratory of Luminescence from Molecular AggregatesSCUT-HKUST Joint Research InstituteAIE InstituteCenter for Aggregation-Induced EmissionSouth China University of Technology(SCUT)Guangzhou 510640China Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials Key Laboratory of Cluster Science of Ministry of EducationBeijing Institute of TechnologyBeijing 100081China Department of Chemistry Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and ReconstructionInstitute for Advanced Studyand Department of Chemical and Biological EngineeringThe Hong Kong University of Science&Technology(HKUST)Clear Water BayKowloonHong KongChina

Ultralong organic room-temperature phosphorescence(RTP)materials have attracted tremendous attention recently due to their diverse *** ultralong organic RTP materials mimicking the host-guest architecture of inorganic systems have been exploited ***,complicated synthesis and high expenditure are still inevitable in these ***,we develop a series of novel host-guest organic phosphorescence systems,in which all luminophores are electron-rich,commercially available and *** maximum phosphorescence efficiency and the longest lifetime could reach 23.6%and 362 ms,*** results and theoretical calculation indicate that the host molecules not only play a vital role in providing a rigid environment to suppress non-radiative decay of the guest,but also show a synergistic effect to the guest through Förster resonance energy transfer(FRET).The commercial availability,facile preparation and unique properties also make these new host-guest materials an excellent candidate for the anti-counterfeiting *** work will inspire researchers to develop new RTP systems with different wavelengths from commercially available luminophores.

关键词： room-temperature phosphorescence host-guest system Förster resonance energy transfer commercial luminophore anti-counterfeiting

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Mechanical and Electrical Changes in Electrochemically Active Polyimide Binder for Li-Ion Batteries

SSRN

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SSRN 2024年

作者： Huey, Zoey Quinn, Joseph Rodrigues, Marco-Tulio F. Rajendran, Sathish Wang, Chongmin DeCaluwe, Steven C. Jiang, Chun-Sheng Materials Chemical and Computational Science Directorate National Renewable Energy Laboratory GoldenCO80401 United States Department of Mechanical Engineering Colorado School of Mines GoldenCO80401 United States Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory 902 Battelle Blvd RichlandWA99354 United States Chemical Sciences and Engineering Division Argonne National Laboratory LemontIL United States

Polyimide binders are often used in electrodes made with silicon for lithium-ion batteries for their mechanical strength and adhesion, which help mitigate mechanical issues with large volumetric expansion. These binders can be electrochemically active, but it is difficult to characterize what physical and chemical changes occur due to a composite electrode with multiple components and processes at play. In this work, we study electrodes consisting only of polyimide binder and conductive carbon, using scanning probe-based techniques— contact resonance, force volume, and scanning spreading resistance microscopy—along with cryo-scanning transmission electron microscopy, electron energy loss spectroscopy, and energy dispersive x-ray spectroscopy. We show that lithium becomes trapped in the binder during cycling and results in large initial capacity losses, the formation of dendrite-like features, column-like domains of significantly increased mechanical modulus, and a slight increase in electronic resistivity. © 2024, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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Graphene Oxide Assemblies for Sustainable Clean-Water Harvesting and Green-Electricity Generation

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Accounts of materials Research 2021年第2期2卷 97-107页

作者： Yaxin Huang Chengzhi Wang Changxiang Shao Boyu Wang Nan Chen Haibo Jin Huhu Cheng Liangti Qu State Key Laboratory of Tribology Department of Mechanical EngineeringTsinghua UniversityBeijing 100084PR China Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials Key Laboratory of Cluster ScienceSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081P.R.China Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081P.R.China State Key Laboratory of Tribology Department of Mechanical Engineering and Key Laboratory of Organic Optoelectronics&Molecular EngineeringMinistry of EducationDepartment of ChemistryTsinghua UniversityBeijing 100084PR China

CONSPECTUS:The urgent problems of water scarcity and the energy crisis have given rise to the development of a range of sustainable technologies with the great advancement of nanotechnologies and advent of attractive *** oxides(GO),a derivative of graphene with an atom-thin thickness and abundant oxygen-containing functional groups(such as−OH,−COOH),are water-soluble and can be assembled into a variety of structures(such as fiber,membrane,and foam)with great potential in environmental and energy-related *** a typical precursor of graphene,GO can be easily reduced to graphene by chemical or thermal treatments to demonstrate excellent photothermal properties as well as tunable thermal conduction,which is highly desirable for efficient solar-driven water *** intrinsic large specific area of GO nanosheets can provide enough sites for ions adsorption and its porous assemblies facilitate the transport of *** addition,the abundant functional groups allow the spontaneous adsorption of water molecules from the ambient environment and give birth to movable ions(usually protons)under the solvation *** a chemical gradient is formed on the component,a remarkable electricity is generated from the directional transport of *** to the excellent chemical properties of GO nanosheets,a wide range of assemblies with 1D aligned fibers,2D layered membranes and 3D porous foam can be easily fabricated by wet-spinning,solution-filtration,and freezingdrying *** various GO assemblies are able to exhibit abundant functions with remarkable weaving capability for GO fibers,superior flexibility for GO membranes,and exceptional adsorption capacity for GO *** light of all the advantages,GO and its assemblies are remarkably promising in the fields of sustainable development to meet the pressing challenges of water and energy *** this Account,we will discuss the progress of clean-water production and green-electricity gene

关键词： adsorption fibers Clean

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Performance evaluation of emerging block copolymer membranes for oil-water separation

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Green Technology, Resilience, and Sustainability 2022年第1期2卷 1-11页

作者： Al-Maas, Mashael Hussain, Altaf Minier-Matar, Joel Hassan, Mohammad K. Al-Maadeed, Mariam Al Ali Alamgir, Karim Adham, Samer ConocoPhillips Global Water Sustainability Center Qatar Science & Technology Park Doha Qatar Center for Advanced Materials Qatar University Doha Qatar Materials Science & Technology Program College of Arts & Sciences Qatar University Doha Qatar Department of Chemical & Biomolecular Engineering University of Houston Houston USA

Membrane processes such as microfiltration (MF) and ultrafiltration (UF) are known to be the best advanced technologies for water reuse application. Numerous research efforts have been conducted in areas of modifying commercial MF/UF products or synthesizing novel materials promising enhanced oil-water separation performances. Block copolymer (BCP)-based membranes have recently gained increased popularity due to their improved water permeabilities. This study applies a comprehensive testing protocol for performance evaluation of two emerging poly (styrene-block-methyl methacrylate) BCP membranes developed by the project team. Tests mimicking industrial conditions were conducted by using a representative synthetic produced water and operating repeat tests. Both BCP membranes (referred to as A & B) were found to possess high permeabilities of 5538 and 12,424 LMH/bar, respectively. Membrane B showed higher organic rejection at 79% against 74% rejection obtained for membrane A. The novel membranes were then compared to a relevant commercial product. Lower permeability at 3831 LMH/bar and slightly higher rejection performance (within ~ 10%) were obtained for the commercial membrane as compared to the BCP membranes. Test results obtained for those novel membranes being still in the development stage will be utilized in future studies investigating further optimization of the membrane structure and oil-water separation performance.

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Architecture Optimization Dramatically Improves Reverse Bias Stability in Perovskite Solar Cells: A Role of Polymer Hole Transport Layers

arXiv

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arXiv 2023年

作者： Jiang, Fangyuan Shi, Yangwei Rana, Tanka R. Morales, Daniel Gould, Isaac McCarthy, Declan P. Smith, Joel Christoforo, Grey Contreras, Hannah Barlow, Stephen Mohite, Aditya D. Snaith, Henry Marder, Seth R. MacKenzie, J. Devin McGehee, Michael D. Ginger, David S. Department of Chemistry University of Washington SeattleWA98195 United States Molecular Engineering & Sciences Institute University of Washington SeattleWA98195 United States Department of Materials Science and Engineering University of Washington SeattleWA98195 United States Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States Renewable and Sustainable Energy Institute University of Colorado Boulder BoulderCO80303 United States Department of Physics University of Oxford Parks Road OxfordOX1 3PU United Kingdom Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States Department of Chemical and Biological Engineering Department of Chemistry University of Colorado Boulder BoulderCO80303 United States Department of Mechanical Engineering University of Washington SeattleWA98195 United States

We report that device architecture engineering has a substantial impact on the reverse bias instability that has been reported as a critical issue in commercializing perovskite solar cells. We demonstrate breakdown voltages exceeding -15 V in typical p-i-n structured perovskite solar cells via two steps: i) using polymer hole transporting materials;ii) using a more electrochemically stable gold electrode. While device degradation can be exacerbated by higher reverse bias and prolonged exposure, our as-fabricated perovskite solar cells completely recover their performance even after stressing at -7 V for 9 hours both in the dark and under partial illumination. Following these observations, we systematically discuss and compare the reverse bias driven degradation pathways in perovskite solar cells with different device architectures. Our model highlights the role of electrochemical reaction rates and species in dictating the reverse bias stability of perovskite solar cells. Copyright © 2023, The Authors. All rights reserved.

关键词： Perovskite solar cells

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Snake-Scale Stimulated Robust Biomimetic Composite Triboelectric Layer for Energy Harvesting and Smart Health Monitoring

SSRN

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SSRN 2023年

作者： Lin, Zong-Hong Huang, Ming-Zheng Parashar, Parag Chen, An-Rong Shi, Shih-Chen Tseng, Yao-Hsuan Lim, Kee Chin Yeh, Hsuan-Yu Pal, Arnab Institute of Biomedical Engineering National Tsing Hua University Hsinchu30013 Taiwan Department of Biomedical Engineering National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering National Taiwan University Taipei10617 Taiwan Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Department of Mechanical Engineering National Cheng Kung University Tainan70101 Taiwan International Intercollegiate Ph.D. Program National Tsing Hua University Hsinchu30013 Taiwan

Extreme frictional wear of triboelectric layers severely hinders long-term sustainability of triboelectric nanogenerators (TENGs) for efficient ambient energy harvesting. The state-of-the-art solutions necessitate sophisticated structural designs and complex packaging constraints, impeding the feasibility of TENGs for practical applications. Herein, inspired by the structures and compositions of snake scales, a biomimetic composite (BC) film is fabricated as a wear-resistant triboelectric contact layer. The successful formation of disulfide bond-facilitated cross-linkage of cysteine proteins in the keratin-based BC film promotes excellent mechanical resilience and durability, thereby solving the material abrasion challenges associated with solid-solid triboelectric layers. The BC film, with toothed microstructure, exhibits improved charge transfer, low friction, and consistent long-term stable outputs compared to commercial films. Furthermore, a self-powered BC film-based TENG is integrated into a bicycle for biomechanical energy harvesting, lightening warning signals for safer night ride with stable 300 V electrical output for at least 6 hours. Moreover, a smart health monitoring system is further proposed by embedding TENG-based sensors into the bicycle saddle, accurately capturing the rider’s pelvic-saddle interactions on varying terrain slopes. By leveraging the unique biomechanical information, machine learning-assisted user identification and terrain slope data classifications are achieved with high accuracies, laying a foundation for futuristic smart healthcare applications. This work provides a strategy to reduce material abrasion by exploiting the unique characteristics of a biomimetic material, facilitating a basis for efficient environmental energy harvesting and smart sensing. © 2023, The Authors. All rights reserved.

关键词： Nanogenerators

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Attention-Based Functional-Group Coarse-Graining: A Deep Learning Framework for molecular Prediction and Design

arXiv

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arXiv 2025年

作者： Han, Ming Sun, Ge de Pablo, Juan J. Pritzker School of Molecular Engineering University of Chicago ChicagoIL United States James Franck Institute University of Chicago ChicagoIL United States Department of Chemical and Biomolecular Engineering Tandon School of Engineering New York University BrooklynNY United States Department of Computer Science Courant Institute of Mathematical Sciences New York University New YorkNY United States Department of Physics New York University New YorkNY United States Materials Science Division Argonne National Laboratory LemontIL United States

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML training. In this study, we report a data-efficient, deep-learning framework for molecular discovery that integrates a coarse-grained functional-group representation with a self-attention mechanism to capture intricate chemical interactions. Our approach exploits group-contribution theory to create a graph-based intermediate representation of molecules, serving as a low-dimensional embedding that substantially reduces the data demands typically required for training. By leveraging the self-attention mechanism to learn subtle chemical context, our method consistently outperforms conventional methods in predicting multiple thermophysical properties. In a case study focused on adhesive polymer monomers, we train on a limited dataset comprising just 6,000 unlabeled and 600 labeled monomers. The resulting chemistry prediction model achieves over 92% accuracy in forecasting properties directly from SMILES strings, exceeding the performance of current state-of-the-art techniques. Furthermore, the latent molecular embedding is invertible, allowing the design pipeline to incorporate a decoder that can automatically generate new monomers from the learned chemical subspace. We illustrate this functionality by targeting high and low glass transition temperatures (Tg), successfully identifying novel candidates whose Tg extends beyond the range observed in the training data. The ease with which our coarse-grained, attention-based framework navigates both chemical diversity and data scarcity offers a compelling route to accelerate and broaden the search for functional materials. Copyright © 2025, The Authors. All rights reserved.

关键词： Adhesives

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