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The 2^(nd)Asian Conference on Porphyrins,Phthalocyanines and Related Materials

Chinese Chemical Letters 2024年第7期35卷 1-3页

作者： Gaojie Zhu Zhen Yang Shijun Li Weihua Zhu Rui Cao Junlong Zhang Jianzhang Zhao Jonathan L.Sessler Xunjin Zhu Jianxin Song Yongshu Xie Jianzhuang Jiang Key Laboratory for Advanced Materials and Institute of Fine Chemicals School of Chemistry and Molecular EngineeringEast China University of Science&TechnologyShanghai 200237China College of Material Chemistry and Chemical EngineeringKey Laboratory of Organosilicon Chemistry and Material Technology of Ministry of EducationHangzhou Normal UniversityHangzhou 311121China School of Chemistry and Chemical Engineering Jiangsu UniversityZhenjiang 212013China Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationSchool of Chemistry and Chemical EngineeringShaanxi Normal UniversityXi'an 710119China Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China State Key Laboratory of Fine Chemicals Frontier Science Center for Smart MaterialsSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China Department of Chemistry The University of TexasAustinTexas 78712-1224United States Department of Chemistry and Institute of Advanced Materials Hong Kong Baptist UniversityHong Kong 999077China Key Laboratory of Chemical Biology and Traditional Chinese Medicine(Ministry of Educational of China) Key Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan ProvinceCollege of Chemistry and Chemical EngineeringHunan Normal UniversityChangsha 410081China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline MaterialsDepartment of Chemistry and Chemical EngineeringSchool of Chemistry and Biological EngineeringUniversity of Science and Technology BeijingBeijing 100083China

In the past decades,porphyrins,phthalocyanines and related materials have attracted significant attention due to their diverse and brilliant structures[1,2],as well as their unique electronic structures and photophysi... 详细信息

关键词： cyanine phthalocyanine Porphyrin

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MOSP: A User-interface Package for Simulating Metal Nanoparticle Structure and Reactivity under Operando Conditions

arXiv

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arXiv 2024年

作者： Ying, Lei Zhu, Beien Gao, Yi Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied Physics Chinese Academy of Sciences Shanghai201800 China University of Chinese Academy of Sciences Beijing100049 China Phonon Science Research Center for Carbon Dioxide Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai201210 China Key Laboratory of Low-Carbon Conversion Science & Engineering Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai201210 China

Structures of metal nanoparticles (NPs) significantly influence their catalytic reactivities. Recent in situ experimental observations of dramatic structural changes in NPs have underscored the need to establish a dynamic structure-property relationship that accounts for the reconstruction of NPs in reactive environments. Here, we present the MOSP, a free and open-source graphical user interface (GUI) package designed to simulate the structure and reactivity of metal NPs under operando conditions. MOSP integrates two models: the multiscale structure reconstruction (MSR) model predicting equilibrium metal NP structures under specific reaction conditions and the kinetic Monte Carlo (KMC) model simulating the reaction dynamics. This combination allows for the exploration of the dynamic structure-property relationships of NPs. MOSP enhances user accessibility through its intuitive GUI, facilitating easy input, post-processing, and visualization of simulation data. This article is the release note of MOSP, focusing on its implementation and functionality. © 2024, CC BY.

关键词： Metal nanoparticles

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Type-III corner states in second-order topological insulators enabled by distinct hybridization of photonic Wannier functions

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Physical Review B 2025年第16期111卷 165408-165408页

作者： Zhenzhen Liu Junxiao Zhang Guochao Wei Pengcheng Li Xiaoming Zhang Jun-Jun Xiao Research Center for Advanced Optics and Photoelectronics Department of Physics College of Science Shantou University Shantou 515063 China School of Integrated Circuits Harbin Institute of Technology (Shenzhen) Shenzhen 518055 China School of Mathematical and Physical Sciences Wuhan Textile University Wuhan 430200 China College of Physics Science and Engineering Technology Yichun University Yichun 336000 China

In periodic crystalline systems, topological insulators are uniquely characterized by modern polarization concepts, analogous to Wannier centers. Here, we show that second-order topological insulators (SOTIs) arise throughout the full spectrum of a phase transition between degenerate photonic bands, due to the combination of nonsymmorphic glide symmetry and time-reversal symmetry in all-dielectric photonic crystals. We find that the hybridization of Wannier functions causes the center of the maximally localized Wannier function to lie at the unit cell origin rather than a site with nonzero net polarization. This mechanism leads to corner states originating from obstructed Wannier functions. By examining the local density of states, we confirm and characterize the second-order topology, revealing an additional type of corner state—type-III—which differs from the conventional type-I and type-II. These findings broaden the exploration of higher-order topological physics and hold promise for integrated and quantum photonics.

关键词： Topology

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Surface Oxygen Vacancy and Hydride Species on Ceria Are Detrimental to Acetylene Semihydrogenation Reaction

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ACS Catalysis 2023年第8期13卷 5213-5224页

作者： Li, Zhaorui Chen, Lu Wu, Zongfang Jia, AiPing Shi, Shucheng Zhang, Hui Wang, Jia Liu, Zhi Shao, Wei-Peng Yang, Fan Wu, Xin-Ping Gong, Xue-Qing Huang, Weixin Key Laboratory of Precise and Intelligent Chemistry iChEM Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes Department of Chemical Physics University of Science and Technology of China Hefei 230026 China Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research Center Centre for Computational Chemistry and Research Institute of Industrial Catalysis School of Chemistry and Molecular Engineering East China University of Science and Technology Shanghai 200237 China Hefei National Research Center for Physical Science at the Microscale Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes University of Science and Technology of China Hefei 230026 China Key Laboratory of the Ministry of Education for Advanced Catalysis Materials Institute of Physical Chemistry Zhejiang Normal University Jinhua 321004 China School of Physical Science and Technology Shanghai Tech University Shanghai 201210 China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences Shanghai 200050 China Dalian National Laboratory for Clean Energy Chinese Academy of Sciences Dalian 116023 China

Reactivity of OH and hydride species in oxide-catalyzed hydrogenation reactions has attracted great interest. Herein, we report a combined in situ spectroscopic characterization and density functional theory (DFT) calculation study of ceria-catalyzed acetylene semihydrogenation reaction. The ceria surface is fully hydroxylated during the adopted reaction condition. C₂H₂ adsorbs molecularly on the stoichiometric CeO₂ surface and hydrogenates with OH groups selectively to produce C₂H₄. Semihydrogenation of C₂H₂ to C₂H₄ with either OH groups or hydride species on ceria surfaces with surface oxygen vacancies proceeds more facilely than on a stoichiometric CeO₂ surface, but C₂H₄ adsorbs more strongly and further hydrogenates to C₂H₆ more facilely;moreover, dissociative adsorption of C₂H₂ to C₂H species occurs, which facilely hydrogenates with the hydride species eventually to form C₂H₆ and react with each other to produce oligomers, decreasing the catalytic selectivity and stability, respectively. These results demonstrate that the ceria catalyst with a stoichiometric surface is extremely selective in catalyzing C₂H₂ semihydrogenation reaction to C₂H₄, whereas surface oxygen vacancies or hydride species on ceria are harmful to the catalytic performance. © 2023 American Chemical Society.

关键词： active species DFT calculations heterogeneous catalysis in situ characterization reaction mechanism

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Suitable Typefaces for Food Packaging to Express Taste: A Comparative Study of Chinese and Japanese Cultures

Suitable Typefaces for Food Packaging to Express Taste: A Co...

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IEEE International Workshop on Computational Intelligence & Applications (IWCIA)

作者： Noma Asako Naoki Takahashi Toru Nakata Takashi Sakamoto Toshikazu Kato The Graduate School of Science and Engineering Chuo University Tokyo Japan The Faculty of Science and Engineering Chuo University Tokyo Japan Artificial Intelligence Research Center National Institute of Advanced Industrial Science and Technology (AIST) Tokyo Japan Human Augmentation Research Center National Institute of Advanced Industrial Science and Technology (AIST) Chiba Japan The Faculty School of Science and Engineering Chuo University Tokyo Japan

We conducted comparative research of Japanese and Chinese taste impressions of fonts, which are one of the design elements of product packaging. Investigation of taste impressions can apply to food package design. Characters have both graphical features that can be represented by physical indicators, such as the thickness of characters, and semantic features of the characters and words. In this experiment, to prevent the bias due to the difference in character shape derived from the language, we proposed and used an evaluation method in which the impression words were spoken. As a result, it was suggested that the presence or absence of changes in the thickness of characters has an effect as a physical feature of both Japanese and Chinese fonts. In addition, only for Japanese fonts, it was suggested that whether the font is more likely to be used for the title or the main body of a sentence affects the evaluation. When we focus on each impression word, we find that Japanese and Chinese people choose fonts with rounded glyphs to express softness; it was found that they are sometimes represented by fonts with different shape characteristics. Additionally, impression words such as sweetness and softness, which are expressed in similar fonts in Japan, should be expressed in different fonts in China. Both Japanese and Chinese are written in kanji. However, it was suggested that the kana characters and the difference in the number of strokes of kanji may affect the selection of fonts, especially the selection of line width.

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Sound Field Imaging in Gas Flow using Parallel Phase-Shifting Digital Holography and Fourier Transform

Sound Field Imaging in Gas Flow using Parallel Phase-Shiftin...

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3D Image Acquisition and Display: technology, Perception and Applications, 3D, COSI, DH, FLatOptics, IS, pcAOP 2023 - Part of Imaging and applied Optics Congress 2023

作者： Notte, Shun Hashimoto, Sota Inoue, Tomoyoshi Nishio, Kenzo Xia, Peng Rajput, Sudheesh K. Matoba, Osamu Awatsuji, Yasuhiro Graduate School of Science and Technology Kyoto Institute of Technology Matsugasaki Sakyo-ku Kyoto606-8585 Japan Japan Society for the Promotion of Science Kojimachi Business Center Building 5-3-1 Kojimachi Chiyoda-ku Tokyo102-0083 Japan Advanced Technology Center Kyoto Institute of Technology Matsugasaki Goshokaido-Cho Sakyo-ku Kyoto606-8585 Japan Central 2 1-1-1 Umezono Tsukuba305-8568 Japan Kobe University Organization for Advanced and Integrated Research Rokkodai 1-1 Kobe Nada657-850 Japan Faculty of Electrical Engineering and Electronics Kyoto Institute of Technology Matsugasaki Sakyo-ku Kyoto606-8585 Japan

We propose a method for imaging of sound propagating in gas flow. We recorded a sound and gas flow simultaneously and separated the images of sound from phase images disturbed by gas flow. © 2023 The Author (s).

ISBN: (纸本)9781957171289

关键词： Flow of gases

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Multi-Modal Brain Graph Learning of Shared-Specific Features for Schizophrenia Diagnosis

Multi-Modal Brain Graph Learning of Shared-Specific Features...

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2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

作者： Huang, Yin Chen, Geng Wen, Xuyun Shen, Dinggang Northwestern Polytechnical University School of Computer Science and Engineering Xi'an China Nanjing University of Aeronautics and Astronautics College of Computer Science and Technology Nanjing China ShanghaiTech University School of Biomedical Engineering State Key Laboratory of Advanced Medical Materials and Devices Shanghai China Shanghai United Imaging Intelligence Co. Ltd. Shanghai China Shanghai Clinical Research and Trial Center Shanghai China

ISBN: (纸本)9798350386226

Recent years have witnessed promising progress in schizophrenia diagnosis with multi-modal brain networks. However, existing works usually focus on either learning the specific characteristics of each modality or exploiting the shared information among modalities. Few methods explicitly explore the shared information as well as preserve the modality-specific characteristics. In this paper, we propose a shared-specific graph learning (S2GL) framework for schizophrenia diagnosis, which benefits disease diagnostic performance by exploiting shared information and characteristics unique to each modality. Specifically, two modality-specific graph learning modules are adopted to learn multi-level specific representations of the structural brain graph and functional brain graph, respectively. Meanwhile, a structural-functional shared graph learning module is designed to mine the shared features between modalities by exploiting their correlations, providing cross-enhanced representations for each modality. These representations can not only provide beneficial information for mining high-order modality-specific features but also be fused to generate shared representations for disease diagnosis. Next, we develop a shared-specific graph feature aggregation module to integrate the multi-level specific and shared representations, which can provide comprehensive multi-modal information to boost disease diagnosis. Finally, we formulate a unified end-to-end framework for schizophrenia diagnosis. Experiments on an open schizophrenia dataset demonstrate that our S2GL is effective and superior to cutting-edge methods. © 2024 IEEE.

关键词： Contrastive Learning

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Superconductivity in HfS2 at ultrahigh pressure

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Physical Review Materials 2023年第10期7卷 104802-104802页

作者： Shihui Zhang Hailun Wang Hao Liu Jiapeng Zhen Shun Wan Wen Deng Yonghao Han Bin Chen Chunxiao Gao State Key Laboratory for Superhard Materials Jilin University Changchun 130012 China Center for High Pressure Science and Technology Advanced Research Shanghai 201203 China School of Marine Technology and Environment Dalian Ocean University Dalian 116023 China School of Science Harbin Institute of Technology Shenzhen 518055 China

Adjusting the electrical and optical properties of two-dimensional materials by pressure is an important method to realize their applications in the fields of electronics and optoelectronic devices. Here, we report the highly tunable transport properties of the layered semiconductor HfS2 under high pressure, including metallization and superconducting transition. HfS2 is one of the IVB group transition-metal dichalcogenides, exhibiting a large band gap in ambient condition. The bandgap decreases from ∼2.0 to ∼1.1eV within 15GPa by pressure tuning, and HfS2 becomes metallic at ∼60GPa. Moreover, a superconducting transition is observed under ∼126GPa, and the superconducting critical temperature (Tc) increases with further compression, reaching ∼4.4K at ∼153GPa. Hall-effect measurements show that pressure changes the carrier-concentration type from electron dominated to hole dominated at ∼145GPa. Two structural transitions are found at moderate pressure, and one of them agrees with the changes observed in absorption and Raman spectroscopy measurements. Manipulation of the transport and optical properties of HfS2 by pressure provides important information for its practical applications.

关键词： Superconductors

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Assessment of CO2 Emissions from Crushed Stone Transport for Site Selection of Enhanced Weathering Systems

Assessment of CO2 Emissions from Crushed Stone Transport for...

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Energy and Sustainable Development

作者： Shota Imai Yutaro Akimoto Keiichi Okajima Rustandi Rendi Naomi Kitagawa Shinichirou Morimoto Systems and Information Engineering University of Tsukuba Tsukuba Japan Global Zero Emission Research Center (GZR) National Institute of Advanced Industrial Science and Technology (AIST) Tsukuba Japan

ISBN: (数字)9798331517076

ISBN: (纸本)9798331517083

In order to achieve carbon neutrality by 2050, negative emission technologies are required, and enhanced weathering is attracting attention. In this process, rocks are crushed and spread on farmland to fix CO 2 . However, since CO 2 is emitted during the process from rock mining to spreading, it is necessary to clarify the CO 2 reduction effect over the entire life cycle. In this study, a case study focusing on transportation distance and spreading area in Hokkaido, Japan has been conducted to evaluate CO 2 emission reductions. The area of farmland and the transportation distance from the quarry to the farmland were calculated using Geographic Information System (GIS). The relationship between transportation distance and farmland area was analyzed to clarify the characteristics of each quarry. From the result of the case study, CO 2 emissions from transportation account for up to 30% of total emissions. Furthermore, the quarry case also shows a reduction in CO 2 emissions.

关键词： Net zero Transportation Focusing Production Weathering Soil Rocks Carbon emissions Geographic information systems Meteorology

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Recent advances in perovskite/organic integrated solar cells

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Rare Metals 2021年第10期40卷 2763-2777页

作者： Qiang Guo Chen-Yun Wang Tasawar Hayat Ahmed Alsaedi Jian-Xi Yao Zhan-Ao Tan Henan Institute of Advanced Technology Zhengzhou UniversityZhengzhou 450002China State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources North China Electric Power UniversityBeijing 102206China NAAM Research Group Faculty of ScienceKing Abdulaziz UniversityJeddah 21589Saudi Arabia Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing 100090China

The integrated perovskite/organic solar cell(IPOSC) is widely concerned as an effective approach to broaden the spectrum of perovskite solar cell(PerSC) by utilizing near-infrared light of lower bandgap organic semiconductor. Compared to tandem solar cells, the IPOSCs eliminate the preparation of the intermediate layer and simplify the manufacturing process, but retain the advantages of wide light harvesting. Meanwhile, the IPOSCs can maintain the open-circuit voltage as high as PerSCs. This review summarizes the recent developments of perovskite materials and low-bandgap organic conjugated materials applied in solar cells. Then, the working mechanism of IPOSCs and the recent developments of IPOSCs based on low-bandgap donor and acceptor materials are highlighted. Besides, the study of charge dynamic in IPOSC is summarized. Finally, the potential of IPOSCs and approach to improve device performance are also envisaged.

关键词： Organic solar cell Perovskite solar cell Perovskite/organic integrated solar cell Conjugated molecules

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