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High-entropy Metal Oxide-polyoxometalate-palladium Sub-1 nm Nanowires for Semi-hydrogenation Reaction of Alkynes

高等学校化学研究（英文版） 2023年第4期39卷 624-629页

作者： LIU Junli NIE Siyang WU Liang WANG Xun Key Laboratory of Bio-inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191P.R.China Engineering Research Center of Advanced Rare Earth Materials Department of ChemistryTsinghua UniversityBeijing 100084P.R.China School of Chemistry and Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240P.R.China

Palladium and palladium-based nanomaterials have shown great catalytic potential in the semi-hydrogenation reaction of ***,the scarcity of noble metals,harsh reaction conditions,selectivity and over reduction of products limit the development of these kinds of *** is a smart strategy to fabricate the single-site palladium-based catalyst by introducing palladium into one-dimensional(1D)hybrid sub-1 nm nanowires(SNWs).Herein,we successfully synthesized several kinds of high-entropy metal oxide-polyoxometalate-Pd(HEO-POM-Pd)SNWs,which as the catalysts performed excellent catalytic activity and stereoselectivity in the semi-hydrogenation reaction of alkynes at room temperature,providing a promising avenue to design and prepare noble metal single-site catalysts at the sub-1 nm scale.

关键词： High-entropy oxide Polyoxometalate Palladium Sub-1 nm nanowire Semi-hydrogenation reaction

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Organic functional dyes

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Green Chemical engineering 2023年第4期4卷 377-378页

作者： Zhi-Qian Guo Wei-Hong Zhu Jiangli Fan Jong Seung Kim Key Laboratory for Advanced Materials and Institute of Fine Chemicals School of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai200237China State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical EngineeringDalian University of TechnologyDalian116024China Research Institute of Dalian University of Technology in Shenzhen Shenzhen518057China Department of Chemistry Korea UniversitySeoul02841South Korea

Functional dyes go beyond traditional color applications and offer distinctive properties and functionalities,making them suitable for a wide range of industrial applications such as healthcare,agriculture,textiles,and *** dyes can serve as fluorescent probes in medical research,photosensitizers in cancer therapy,pesticide markers in agriculture,antimicrobial agents on textiles,and charge transport materials in *** ongoing research into new functional dyes reflects the interest of industries in identifying novel applications for these materials.

关键词： materials. functional dyes

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Superscattering of water waves

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National Science Review 2023年第7期10卷 91-97页

作者： Zijian Qin Chao Qian Lian Shen Xiaoping Wang Ido Kaminer Hongsheng Chen Huaping Wang Key Laboratory of Ocean Observation-Imaging Testbed of Zhejiang Province Institute of Marine Electronics Engineering Ocean College Zhejiang University ZJU-Hangzhou Global Science and Technology Innovation Center Key Lab.of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang Zhejiang University ZJU-UIUC Institute Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation Zhejiang University Jinhua Institute of Zhejiang University Zhejiang University Department of Electrical Engineering Technion-Israel Institute of Technology

Inspired by the concept of superscattering in optics,we for the first time theoretically predict and experimentally demonstrate the superscattering phenomenon in water *** subwavelength superscatterer is constructed by multi-layered concentric cylinders with an inhomogeneous depth *** superscatterer breaks the long-held single-channel scattering limit by several times and thus significantly enhances the total scattering *** underlying mechanism originates from the near degeneracy of the resonances of multiple *** fabricate the superscatterer prototype and experimentally measure the near-field patterns,which are consistent with theoretical prediction and numerical *** study opens a new avenue to strengthen water-wave scattering and deepen the understanding in water waves,which can be useful for ocean energy harvesting and harbor protection.

关键词： superscattering water wave metamaterials

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Identification of Dynamic Active Sites Among Cu Species Derived from MOFs@CuPc for Electrocatalytic Nitrate Reduction Reaction to Ammonia

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Nano-Micro Letters 2023年第8期15卷 20-34页

作者： Xue‑Yang Ji Ke Sun Zhi‑Kun Liu Xinghui Liu Weikang Dong Xintao Zuo Ruiwen Shao Jun Tao Key Laboratory of Cluster Science of Ministry of Education School of Chemistry and Chemical EngineeringLiangxiang CampusBeijing Institute of TechnologyBeijing 102488People’s Republic of China Department of Chemistry Sungkyunkwan University(SKKU)Suwon 16419Republic of Korea Department of Materials Physics Saveetha School of EngineeringSaveetha Institute of Medical and Technical Sciences(SIMTS)ThandalamChennaiTamilnadu 602105India Beijing Advanced Innovation Center for Intelligent Robots and Systems and Institute of Engineering Medicine Beijing Institute of TechnologyBeijing 100081People’s Republic of China Key Laboratory of Bio‑inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191People’s Republic of China

Direct electrochemical nitrate reduction reaction(NITRR)is a promising strategy to alleviate the unbalanced nitrogen cycle while achieving the electrosynthesis of ***,the restructuration of the high-activity Cu-based electrocatalysts in the NITRR process has hindered the identification of dynamical active sites and in-depth investigation of the catalytic ***,Cu species(single-atom,clusters,and nanoparticles)with tunable loading supported on N-doped TiO_(2)/C are successfully manufactured with MOFs@CuPc precursors via the pre-anchor and post-pyrolysis *** behavior among Cu species is co-dependent on the Cu loading and reaction potential,as evidenced by the advanced operando X-ray absorption spectroscopy,and there exists an incompletely reversible transformation of the restructured structure to the initial ***,restructured CuN_(4)&Cu_(4) deliver the high NH_(3) yield of 88.2 mmol h^(−1)g_(cata)^(−1) and FE(~94.3%)at−0.75 V,resulting from the optimal adsorption of NO_(3)^(−) as well as the rapid conversion of^(*)NH_(2)OH to^(*)NH_(2) intermediates originated from the modulation of charge distribution and d-band center for Cu *** work not only uncovers CuN_(4)&Cu_(4) have the promising NITRR but also identifies the dynamic Cu species active sites that play a critical role in the efficient electrocatalytic reduction in nitrate to ammonia.

关键词： Metal-organic frameworks Copper phthalocyanine Electrocatalytic nitrate reduction reaction

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Towards understanding structure–property relations in materials with interpretable deep learning

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npj Computational Materials 2023年第1期9卷 157-168页

作者： Tien-Sinh Vu Minh-Quyet Ha Duong-Nguyen Nguyen Viet-Cuong Nguyen Yukihiro Abe Truyen Tran Huan Tran Hiori Kino Takashi Miyake Koji Tsuda Hieu-Chi Dam Japan Advanced Institute of Science and Technology NomiIshikawaJapan HPC SYSTEMS Inc. MinatoTokyoJapan Applied Artificial Intelligence Institute Deakin UniversityGeelongVICAustralia School of Materials Science and Engineering Georgia Institute of TechnologyAtlantaGAUSA Research and Services Division of Materials Data and Integrated System National Institute for Materials ScienceTsukubaIbarakiJapan Research Center for Computational Design of Advanced Functional Materials National Institute of Advanced Industrial Science and TechnologyTsukubaIbarakiJapan Department of Computational Biology and Medical Sciences Graduate School of Frontier SciencesUniversity of TokyoKashiwa-shiChiba-kenJapan International Center for Synchrotron Radiation Innovation Smart(SRIS) Tohoku UniversityAoba-kuSendaiJapan

Deep learning(DL)models currently employed in materials research exhibit certain limitations in delivering meaningful information for interpreting predictions and comprehending the relationships between structure and material *** address these limitations,we propose an interpretable DL architecture that incorporates the attention mechanism to predict material properties and gain insights into their structure–property *** proposed architecture is evaluated using two well-known datasets(the QM9 and the Materials Project datasets),and three in-house-developed computational materials ***–test–split validations confirm that the models derived using the proposed DL architecture exhibit strong predictive capabilities,which are comparable to those of current state-of-the-art ***,comparative validations,based on first-principles calculations,indicate that the degree of attention of the atoms’local structures to the representation of the material structure is critical when interpreting structure–property relationships with respect to physical *** properties encompass molecular orbital energies and the formation energies of *** proposed architecture shows great potential in accelerating material design by predicting material properties and explicitly identifying crucial features within the corresponding structures.

关键词： properties property structure

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Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2 (vol 146, pg 15411, 2024)

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2024年第32期146卷 22860-22860页

作者： Li, Zhaojun Varrassi, Lorenzo Yang, Yali Franchini, Cesare Bellaiche, Laurent He, Jiangang School of Mathematics and Physics University of Science and Technology Beijing Beijing 100083 China Department of Physics and Astronomy “Augusto Righi” Alma Mater Studiorum Università di Bologna Bologna 40127 Italy Faculty of Physics and Center for Computational Materials Science University of Vienna Kolingasse 14-16 Vienna 1090 Austria Smart Ferroic Materials Center Physics Department and Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 United States Key Laboratory of Advanced Materials and Devices for Post-Moore Chips Ministry of Education University of Science and Technology Beijing Beijing 100083 China

Tuning the properties of materials by using external stimuli is crucial for developing versatile smart materials. Strong coupling among the order parameters within a single-phase material constitutes a potent foundation for achieving precise property control. However, cross-coupling is fairly weak in most single materials. Leveraging first-principles calculations, we demonstrate a layered mixed anion compound MoBr2O2 that exhibits electric-field switchable spontaneous polarization and ultrastrong coupling between polar distortion and electronic structures as well as optical properties. It offers feasible avenues of achieving tunable Rashba spin-splitting, electrochromism, thermochromism, photochromism, and nonlinear optics by applying an external electric field to a single domain sample and heating, as well as intense light illumination. Additionally, it exhibits an exceptionally large photostrictive effect. These findings not only showcase the feasibility of achieving multiple order parameter coupling within a single material but also pave the way for comprehensive applications based on property control, such as energy harvesting, information processing, and ultrafast control.

关键词： Chemical structure Light Materials Phase transitions Polarization

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Hydrophobic long-chain two-dimensional perovskite scintillators for underwater X-ray imaging

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Rare Metals 2024年第1期43卷 175-185页

作者： Jin-Xiao Zheng Zi-An Zhou Tiao Feng Hui Li Cheng-Hua Sun NüWang Yang Tian Yong Zhao Shu-Yun Zhou Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Laboratory of Bioinspired Smart Interfacial Science and Technology of the Ministry of Education Beijing Key Laboratory of Bioinspired Energy Materials and DevicesSchool of ChemistryBeijing Advanced Innovation Center for Biomedical EngineeringBeihang UniversityBeijing 100191China Department of Engineering Physics Tsinghua University and Key Laboratory of Particle and Radiation Imaging Ministry of EducationTsinghua UniversityBeijing 100084China e-mail:yangt@***

The underwater X-ray imaging technology development is significant to subaqueous target reconnaissance/detection/identification, subfluvial archaeology,submerged resource exploration, etc. As the core of X-ray imaging detection, the scintillator has been plagued by inherent moisture absorption and decomposition, and strict requirements for seamless packaging and ***, we designed a manganese-doped two-dimensional(2D) perovskite scintillator modified by hydrophobic longchain organic amine through the combination of component and doping engineering. The modified perovskites show high water repellency that can be used as an underwater X-ray scintillator. X-ray images of aquatic organisms or other objects with a high spatial resolution of10 lp·mm^(-1) at a big view field(32 mm × 32 mm) were obtained by scintillation screen. This hydrophobic perovskite scintillator based on molecular design is of great promise in underwater X-ray nondestructive testing technology development.

关键词： Two-dimensional perovskite Hydrophobic Scintillators Underwater X-ray imaging Underwater nondestructive testing technology

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Multi-task Learning Graph Neural Networks for Cancer Prognosis Prediction with Genomic Data 46

Multi-task Learning Graph Neural Networks for Cancer Prognos...

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46th Annual International Conference of the IEEE engineering in Medicine and Biology Society, EMBC 2024

作者： Lin, Tsung-Wei Arriagada, Sofia Ormazabal Lin, Che Taiwan Taiwan International Graduate Program AIoT Ntu Taiwan Research Center for Information Technology Innovation Academia Sinica Taiwan Department of Electrical Engineering Ntu Taiwan Center for Advanced Computing and Imaging in Biomedicine Ntu Taiwan Smart Medicine and Health Informatics Program Ntu Taiwan

ISBN: (纸本)9798350371499

Providing robust prognosis predictions for cancers with limited data samples remains a challenge for precision oncology. In this study, we propose a novel approach that combines multi-task learning (MTL) and graph neural networks (GNNs) to address this issue. By representing gene-gene interactions as a graph network, our approach leverages multi-task learning to effectively capture the relationships of genes relevant to the oncogenesis and progression of breast, lung, and colon cancer. We demonstrate that our approach improves the cancer prognosis prediction for cancers with fewer samples, such as colon adenocarcinoma, by leveraging the shared gene-gene interactions across different cancer types, obtaining increases in the area under the precision-recall curve (AUPRC) of 24%. Our work contributes to the field of smart healthcare by demonstrating the potential of MTL and GNNs for enhancing cancer prognosis prediction, even with limited data samples. © 2024 IEEE.

关键词： Lung cancer

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Observation of spatiotemporal dynamics for topological surface states with on-demand dispersion

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Photonics Research 2024年第12期12卷 2919-2930页

作者： ZHANYUAN ZHANG ZHIHAO LAN PENGBAI XU LEIMING WU MENGLIN L.N.CHEN WEI E.I.SHA YI XU YUWEN QIN Key Laboratory of Photonic Technology for Integrated Sensing and Communication Ministry of EducationInstitute of Advanced Photonic TechnologySchool of Information EngineeringGuangdong University of TechnologyGuangzhou 510006China Department of Electronic and Electrical Engineering University College LondonLondon WC1E7JEUK Guangdong Provincial Key Laboratory of Information Photonics Technology Institute of Advanced Photonic TechnologySchool of Information EngineeringGuangdong University of TechnologyGuangzhou 510006China Department of Electrical and Electronic Engineering The Hong Kong Polytechnic UniversityHong KongChina Key Laboratory of Micro-Nano Electronic Devices and Smart Systems of Zhejiang Province College of Information Science and Electronic EngineeringZhejiang UniversityHangzhou 310027China

Dispersion management in guided wave optics is of vital importance for various *** photonics opens new horizons for manipulating unidirectional guided waves utilizing edge ***,the experimental observation of spatiotemporal dynamics for guided waves with on-demand dispersion in topological photonic crystal is an important issue awaiting ***,we experimentally investigate the spatiotemporal properties of topological surface states with on-demand dispersion,where they are supported by a truncated valley photonic crystal with surface *** observe the electromagnetic dynamics of surface states with typical dispersions,where dynamical trapping of an electromagnetic pulse mediated by the unidirectional surface state with flat dispersion and backward beam routing using reversed dispersion properties are achieved in photonic crystal *** numerical and experimental results substantiate the ultimate dispersion management for topological surface states,which could pave new ways for the manipulation of electromagnetic waves on the surface of photonic devices.

关键词： dispersion surface dynamics

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Short Circuit Fault Characteristics of Low Frequency AC Transmission System Based on Modular Multilevel Matrix Converter

Short Circuit Fault Characteristics of Low Frequency AC Tran...

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2023 International Conference on Power Energy Systems and Applications, ICoPESA 2023

作者： Zhao, Zexin Han, Bin Zhao, Guoliang Xu, Yunfei Lu, Zhengang Xiang, Nianwen Wang, Shulai China Electric Power Research Institute Power System Department Beijing China State Grid Smart Grid Research Institute State Key Laboratory of Advanced Power Transmission Technology Beijing China Hefei University of Technology School of Electrical Engineering and Automation Hefei China

ISBN: (纸本)9798350345605

Compared with power frequency AC transmission and DC transmission, low frequency AC transmission has its unique advantages, which is suitable for long distance transmission, large scale renewable generation and regulation of regional power grid. The fault characteristics affect the system design and operation, which is necessary to study. From the perspective of system topology and converter control, the characteristics of three-phase short circuit fault are analyzed and a simulation model is built on PSCAD for verification in this paper. After a fault occurs, it can be divided into two stages before and after the control responses. Before the control responses, the overvoltage is generated between the terminals of branch reactors and modular capacitors discharges. After the control responses, system characteristics are related to fault location and control strategy. The control and modulation of the converter can make the low frequency and power frequency systems interact with each other. This study can provide a reference for the parameters of equipment and converter control, as well as fault protection in low frequency systems. © 2023 IEEE.

关键词： Timing circuits

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