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High-throughput screening and evaluation of double-linker metal–organic frameworks for CO_(2)/H_(2)adsorption and separation

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Chinese Physics B 2025年第2期34卷 408-417页

作者： Ji-Long Huang Xiu-Ying Liu Hao Chen Xiao-dong Li Jing-Xin Yu School of Physics Henan University of TechnologyZhengzhou 450001China R&D Center for Advanced Energy Materials Henan University of TechnologyZhengzhou 450001China

The capture of CO_(2)from CO_(2)/H_(2)gas mixtures in syngas is a crucial issue for hydrogen production from steam methane reforming in industry,as the presence of CO_(2)directly affects the purity of H_(2).A combination of a high-throughput screening method and grand canonical Monte Carlo simulation was utilized to evaluate and screen 1725 metal–organic frameworks(MOFs)in detail as a means of determining their adsorption performance for CO_(2)/H_(2)gas *** adsorption and separation performance of double-linker MOFs was comprehensively evaluated using eight evaluation indicators,namely,the largest cavity diameter,accessible surface area,pore occupied accessible volume,porosity,adsorption selectivity,working capacity,adsorbent performance score and percent *** optimal performance frameworks were screened to further study their single-component adsorption and binary competitive adsorption of CO_(2)/H_(2)*** CO_(2)adsorption selectivity at different CO_(2)/H_(2)feed ratios was also evaluated,which indicated their excellent adsorption and separation *** microscopic adsorption mechanisms for CO_(2)and H_(2)at the molecular level were investigated by analyzing the radial distribution function and density *** study may provide directional guidance and reference for subsequent experiments on the adsorption and separation of CO_(2)/H_(2).

关键词： metal–organic framework adsorption separation high-throughput screening grand canonical Monte Carlo simulation

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Integrating molecular simulations with multilayer perceptron neural networks to predict the CH4/H2 adsorption and separation of MTV-MOFs

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International Journal of Hydrogen Energy 2025年 132卷 155-165页

作者： Xie, Yan-Yu Li, Xiao-dong Liu, Xiu-Ying Yu, Jing-Xin Wang, Jun-Fei R&D Center for Advanced Energy Materials School of Physics Henan University of Technology Zhengzhou450001 China

The secure, efficient, and cost-effective storage and separation of methane and hydrogen are crucial for their large-scale industrial applications. This work evaluates the performance of 10,995 multivariate metal-organic frameworks (MTV-MOFs) as CH4/H2 adsorption and separation media through molecular simulations and neural network modeling. Firstly, the structural parameters and CH4/H2 adsorption and separation properties of MTV-MOFs were obtained by molecular simulation, and the relationships between them were studied. The results reveal that the key structural descriptors and their optimal ranges are accessible surface area (4000–5000 m2/g), largest cavity diameter (11–14 Å), pore-limiting diameter (10–12 Å), and porosity (∼0.8). A multilayer perceptron neural networks (MLP) model was subsequently constructed to predict the CH4/H2 adsorption and separation properties based on the results of molecular simulations. The results of MLP model are not only comparable to those of traditional grand canonical Monte Carlo (GCMC) simulation, but also exhibit a significant enhancement in screening efficiency. This demonstrates the excellent generalization ability and robustness of the designed MLP model. We hope that this study will provide some theoretical references for the efficient screening of MTV-MOFs for CH4/H2 adsorption and separation applications. © 2025 Hydrogen Energy Publications LLC

关键词： Multilayer neural networks

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Enhancing robot Perception using Vision-Aware Cognition Model

Enhancing Robot Perception using Vision-Aware Cognition Mode...

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2025 IEEE/SICE International Symposium on System Integration, SII 2025

作者： Qu, Jia Hanai, ryo ramirez-Alpizar, Ixchel G. domae, Yukiyasu Miwa, Shotaro Mitsubishi Electric Corporation Advanced Technology R&D Center Hyogo Japan Industrial Cyber-Physical Systems Research Center Tokyo Japan

ISBN: (纸本)9798331531614

In the field of robotics, the construction of advanced perception models is essential for the successful execution of complex tasks. Traditional perception models, often grounded in cognitive frameworks, fall short in adequately processing and interpreting visual data. There is a pressing need to enhance these models with advanced visual processing capabilities. The integration of sophisticated vision models with cognitive frameworks is expected to significantly enhance the performance of perception models, yet such integrations remain *** this paper, we propose a novel Vision-Aware Cognition Model that effectively merges visual and cognitive components to advance robot perception. Our model integrates a cognition model, which incorporates contextual memory for nuanced long-term memory and context comprehension, with a vision model that employs spatial attention to focus on key regions of visual input. This harmonious integration enables not only robust feature extraction but also heightened adaptability to visual environmental *** evaluated our model using a simulated robotic hand on a valve-turning manipulation task. By leveraging saliency visualization, we made the robot's decision-making process transparent, showcasing the distinct functions of the visual and cognitive components. The vision model demonstrates superior object segmentation, while the cognition model is adept at operation points tracking. By leveraging the strengths of both components, the proposed model achieves efficient hybrid feature extraction. Furthermore, we conducted quantitative evaluations of the model's adaptability to various visual changes, which revealed statistically significant performance improvements, highlighting its remarkable capacity for enhancing robot perception. © 2025 IEEE.

关键词： robot vision

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Cellulose Elementary Fibrils as deagglomerated Binder for High-Mass-Loading Lithium Battery Electrodes

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Nano-Micro Letters 2025年第5期17卷 281-296页

作者： Young-Kuk Hong Jung-Hui Kim Nag-Young Kim Kyeong-Seok Oh Hong-I Kim Seokhyeon ryu Yumi Ko Ji-Young Kim Kwon-Hyung Lee Sang-Young Lee Department of Chemical and Biomolecular Engineering Yonsei University50 Yonsei-RoSeodaemun-GuSeoul 03722Republic of Korea Advanced Analysis and Data Center Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea Ulsan Advanced Energy Technology R&D Center Korea Institute of Energy Research(KIER)Ulsan 44776Republic of Korea Department of Battery Engineering Yonsei University50 Yonsei-RoSeodaemun-GuSeoul 03722Republic of Korea

Amidst the ever-growing interest in high-mass-loading Li battery electrodes,a persistent challenge has been the insufficient continuity of their ion/electron conduction ***,we propose cellulose elementary fibrils(CEFs)as a class of deagglomerated binder for high-mass-loading *** from natural wood,CEF represents the most fundamental unit of cellulose with nanoscale *** preparation of the CEFs involves the modulation of intermolecular hydrogen bonding by the treatment with a proton acceptor and a hydrotropic *** elementary deagglomeration of the cellulose fibers increases surface area and anionic charge density,thus promoting uniform dispersion with carbon conductive additives and suppressing interfacial side reactions at ***,a homogeneous redox reaction is achieved throughout the *** resulting CEF-based cathode(overlithiated layered oxide(OLO)is chosen as a benchmark electrode active material)exhibits a high areal-mass-loading(50 mg cm^(-2),equivalent to an areal capacity of 12.5 mAh cm^(-2))and a high specific energy density(445.4 Wh kg–1)of a cell,which far exceeds those of previously reported OLO *** study highlights the viability of the deagglomerated binder in enabling sustainable high-mass-loading electrodes that are difficult to achieve with conventional synthetic polymer binders.

关键词： Cellulose elementary fibrils deagglomeration Electrode binders Lithium batteries High-mass-loading

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Comparative Study on Novel double-Stator Axial-Gap Flux-Modulating Hybrid-Field Consequent Pole Motors

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IEEJ Journal of Industry Applications 2025年第3期14卷 493-504页

作者： Mitsuda, Hiroshi Fukami, Tadashi Koyama, Masato Tanaka, Toshinori Advanced Technology R&D Center Mitsubishi Electric Corporation 8-1-1 Tsukaguchi-Honmachi Amagasaki661-8661 Japan Graduate School of Engineering Kanazawa Institute of Technology 7-1 Ohgigaoka Nonoichi921-8501 Japan

The flux-modulating hybrid-field consequent pole motor (FHCM) is a new type of double-stator axial-gap motor in which the field poles are composed of consequent poles and ring-shaped dC field windings. This paper proposes a field flux model to investigate the torque enhancement mechanism of the FHCM. The electromagnetic performance of the FHCM is also compared with that of three existing double-stator axial-gap flux modulating motors whose field poles are composed of permanent magnets, a field winding, or both of them, in addition to a standard radial-gap interior permanent magnet motor. Furthermore, experimental results are provided for a prototype machine to justify the theoretical and three-dimensional finite element analysis approaches. The results show that the FHCM can achieve both the highest efficiency and torque among the compared motors by adjusting the field current. © 2025 The Institute of Electrical Engineers of Japan.

关键词： AC motors

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A Method for Suppressing Gate Voltage Oscillations in Magnetically Coupled Gate drives for Series-connected Power Semiconductor devices

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IEEJ Transactions on Industry Applications 2025年第3期145卷 173-181页

作者： Urakabe, Takahiro Kanda, Taiki Hagiwara, Makoto Higaki, Yusuke Itogawa, Yuki Tokyo Institute of Technology NE-13 2-12-1 Ookayama Meguro-ku Tokyo152-8550 Japan Advanced Technology R&D Center Mitsubishi Electric Corporation 8-1-1 Tsukaguchi-Honmachi Hyogo Amagasaki661-8661 Japan

This study examines the gate magnetic coupling technique, a gate drive technology for series-connected power semiconductor devices, and discusses the generation principle of gate voltage oscillation specific to the technique and its countermeasures. Additionally, this study proposes two gate-drive circuits designed to suppress gate voltage oscillation. The experimental results obtained using 3.3 kV/750 A SiC-MOSFET/SiC-SBd power modules demonstrate that the proposed methods can suppress gate voltage oscillation and reduce the voltage imbalance between the series-connected elements. © 2025 The Institute of Electrical Engineers of Japan.

关键词： Circuit oscillations

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Effect of Capacitor between drain and Gate Terminals on Gate Magnetic Coupling drive for Series-connected Power Semiconductor devices

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IEEJ Transactions on Industry Applications 2025年第4期145卷 287-297页

作者： Urakabe, Takahiro Ishii, Kazuki Hagiwara, Makoto Higaki, Yusuke Itogawa, Yuki Tokyo Institute of Technology NE-13 2-12-1 Ookayama Meguro-ku Tokyo152-8550 Japan Advanced Technology R&D Center Mitsubishi Electric Corporation 8-1-1 Tsukaguchi-Honmachi Hyogo Amagasaki661-8661 Japan

This study describes the experimental verification of series-connected power semiconductor devices and quantifies the voltage imbalance which occurs during the switching operation when the gate magnetic coupling and the addition of capacitor between drain and gate terminals methods are combined. Experiments using 3.3 kV/750 A SiC-MOSFET/SiC-SBd power modules showed the voltage imbalance evaluation originating from the difference in gate signal transmission and gate drive voltage for the conventional, magnetic coupling, capacitor addition methods and the two methods in combination. The combination of the two methods minimizes the voltage imbalance under these conditions. Moreover, the relationship between capacitance and switching losses is clarified. © 2025 The Institute of Electrical Engineers of Japan.

关键词： Capacitor bank

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Instability and Stabilization Filter of df/dt-Type Virtual Inertia Control Comparing to Synchronous Machines

IEEE Open Journal of Power Electronics

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IEEE Open Journal of Power Electronics 2025年 6卷 849-857页

作者： Ueda, Takumi Sano, Kenichiro Terazono, daisuke Nada, Kaho Institute of Science Tokyo Department of Electrical and Electronic Engineering Meguro Tokyo1528550 Japan Mitsubishi Electric Advanced Technology R&D Center Hyogo Amagasaki6618661 Japan

With the increase of inverter-based resources, the reduction in grid inertia has become an issue. To overcome this problem, various virtual inertia controls have been proposed. df/dt control is a candidate for practical application since it can be integrated into conventional current controlled inverters. However, df/dt control can make the system unstable under certain conditions. A common solution is to use a low-pass filter (LPF), but there is no clear answer to why df/dt control becomes unstable and the LPF can improve stability. As a result, there are no general design criteria of the LPF for various plants. This paper focuses on the stability of a current-controlled inverter with df/dt-type virtual inertia control. The authors analyze the dynamic characteristics of a synchronous generator and demonstrate the existence of a second-order delay between the frequency of the point of common coupling (PCC) voltage and the speed of the rotor. The result demonstrates an equivalence between this delay and LPF for stabilization in df/dt control. Then, this second-order delay is implemented in df/dt control as an LPF. The influence of this LPF for stability is analyzed by EMT simulations and Bode plot of the entire system. These results illustrate that the LPF is indispensable for df/dt control, and parameters corresponding to synchronous generators can be used as a design criterion of the LPF. © 2020 IEEE.

关键词： Stabilization

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Anisotropic absorption enhancement in hybrid black phosphorous-plasmonic nanograting systems

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Journal of Nanophotonics 2025年第1期19卷

作者： Ogawa, Shinpei Iwakawa, Manabu Fukushima, Shoichiro Shimatani, Masaaki Mitsubishi Electric Corporation Advanced Technology R&D Center Amagasaki Japan

Although black phosphorous (BP) is a promising two-dimensional material for next-generation infrared (Ir) photodetectors, enhancing its quantum efficiency remains challenging. We propose a hybrid BP/plasmonic nanograting with a narrow width and a high-depth groove system to address this challenge. The absorption properties of BP formed on plasmonic nanograting systems with two configurations, namely, an armchair edge normal and parallel to the groove direction, were numerically investigated. These systems demonstrated polarization-selective, wide-angle, near-unity absorption in the Ir-wavelength region, and the absorption wavelength was controlled primarily by the groove depth. The BP induced a blue shift of the absorption wavelength, and the wavelength shift was larger for the armchair edge that was normal to the groove direction than that parallel to the groove direction. These results can be attributed to the coupling between the anisotropic surface plasmon resonances of BP and the plasmonic nanogratings. Moreover, this wavelength shift was enhanced by an increase in the carrier density of BP. The BP carrier density can be controlled by its electrical gating. This implies that the detection wavelength can be controlled by electrical gating of the BP. These systems can contribute to the development of high-performance BP-based polarization-selective and/or wavelength-tunable advanced Ir photodetectors. © The Authors. Published by SPIE under a Creative Commons Attribution 4.0 International License.

关键词： Surface plasmon resonance

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Improved surface hydrophobicity of self-assembled transport layers enables perovskite/silicon tandem solar cells with efficiency approaching 31%

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Journal of Energy Chemistry 2025年第5期104卷 749-755页

作者： Jing Yang Jin Wang Biao Shi Yixin dong dongxue Liu Shenhzhi Xu Qian Huang Xiaona du Fu Zhang Miao Yang Yongcai He Bo He Xiaoning ru Shengzhong Liu Xixiang Xu Pengyang Wang Ying Zhao Xiaodan Zhang Three Gorges Corporation Science and Technology Research Institute Institute of Photoelectronic Thin Film Devices and Technology Renewable Energy Conversion and Storage Center State Key Laboratory of Photovoltaic Materials and CellsNankai University Tianjin Key Laboratory of Efficient Utilization of Solar Energy Haihe Laboratory of Sustainable Chemical Transformations Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University LONGi Central R&D Institute LONGi Green Energy Technology Co. Ltd.

[4-（3,6-dimethyl-9H-carbazol-9-yl）butyl]phosphonic acid （Me-4PACz） self-assembled monolayer （SAM）as the hole transport materials have been demonstrated remarkable potential in perovskite solar cells（PSCs）.However,the hydrophobicity of Me-4PACz presents a critical challenge for the fabrication of high-quality perovskite films due to its poor ***,a doped Al2O3with Me-4PACz to modify the Me-4PACz surface was *** one hand,this approach improved the wettability of the Me-4PACz film,enhancing the coverage,uniformity,and buried interface properties of the perovskite *** the other hand,compared to Al2O3modification alone,doping Al2O3with Me-4PACz allowed direct contact between the perovskite and Me-4PACz,resulting in better buried interface *** a result,we achieved an efficiency of 22.71% for single-junction wide-bandgap perovskite solar cells（1.68 eV）.Additionally,the efficiency of perovskite/silicon tandem solar cells was improved from 28.68%to 30.92%,with a significant reduction in ***,the tandem cells demonstrated no degradation after 4200 s of operation at the maximum power point.

关键词： Hydrophic Me-4PACz Perovskite/silicon Tandem solar cell

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