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engineering Fluorine-rich Double Protective Layer on Zn Anode for Highly Reversible Aqueous Zinc-ion Batteries

Angewandte Chemie 2023年第51期135卷

作者： Titi Li Sanlue Hu Chenggang Wang Dun Wang Minwei Xu Caiyun Chang Xijin Xu Cuiping Han School of Physics and Technology University of Jinan Shandong 250022 China Faculty of Materials Science and Energy Engineering/Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen 518055 China Contribution: Conceptualization (lead) Data curation (lead) Investigation (lead) Resources (lead) Writing - original draft (lead) Shenzhen Key Laboratory of Energy Materials for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen 518055 China Contribution: Methodology (lead) Software (lead) Writing - review & editing (equal) Contribution: Supervision (lead) Writing - review & editing (equal) Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Contribution: Resources (lead) Supervision (lead) Contribution: Conceptualization (lead) Data curation (lead) Investigation (lead) Methodology (lead) Resources (equal) Writing - review & editing (equal) Contribution: Resources (lead) Supervision (lead) Writing - review & editing (lead) Contribution: Methodology (lead) Resources (lead) Supervision (lead) Writing - review & editing (lead)

The high thermodynamic instability and side reactions of Zn-metal anode (ZMA), especially at high current densities, greatly impede the commercialization of aqueous zinc-ion batteries (AZIBs). Herein, a fluorine-rich double protective layer strategy is proposed to obtain the high reversibility of AZIBs through the introduction of a versatile tetradecafluorononane-1,9-diol (TDFND) additive in aqueous electrolyte. TDFND molecule with large adsorption energy (−1.51 eV) preferentially absorbs on the Zn anode surface to form a Zn(OR) 2 − (R=−CH 2 −(CF 2 ) 7 −CH 2 −) cross-linking complex network, which balances space electric field and controls the Zn 2+ ion flux, thus enabling the uniform and compact deposition of Zn (002) crystal planes. Meanwhile, TDFND with low Lowest unoccupied molecular orbital (LUMO, 0.10 eV) energy level is priorly decomposed to regulate the interfacial chemistry of ZMA by building a ZnF 2 -rich solid electrode/electrolyte interface (SEI) layer. It is found that a 14 nm-thick SEI layer delivers excellent structural integrity to suppress parasitic reactions by blocking the direct contact of active water and ZMA. Consequently, the Zn electrode exhibits a superior cycling life over 430 h at 10 mA cm −2 and a high average Coulombic efficiency of 99.8 % at 5 mA cm −2 . Furthermore, a 68 mAh pouch cell delivers 80.3 % capacity retention for 1000 cycles.

关键词： Cross-Linking Network Solid-Electrolyte Interface Zinc Anode Zinc-Ion Battery ZnF2

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Aufdeckung des Entstehungsmechanismus und Optimierung der Synthesebedingungen von geschichteten Doppelhydroxiden für die Sauerstoffentwicklungsreaktion

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Angewandte Chemie 2023年第10期135卷

作者： Dr. Zongkun Chen Xingkun Wang Dr. Zhongkang Han Dr. Siyuan Zhang Dr. Simone Pollastri Qiqi Fan Dr. Zhengyao Qu Debalaya Sarker Prof. Christina Scheu Prof. Minghua Huang Prof. Helmut Cölfen University of Konstanz 78457 Konstanz Deutschland Diese Autoren haben zu gleichen Teilen zu der Arbeit beigetragen. Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) School of Materials Science and Engineering Ocean University of China 266100 Qingdao China Contribution: Data curation (lead) Formal analysis (equal) Investigation (lead) Methodology (lead) Fritz-Haber-Institut der Max-Planck-Gesellschaft 14195 Berlin Deutschland Contribution: Data curation (equal) Software (equal) Max-Planck-Institut für Eisenforschung GmbH 40237 Düsseldorf Deutschland Contribution: Data curation (equal) Investigation (equal) Elettra-Sincrotrone Trieste Basovizza Trieste Italien Contribution: Investigation (equal) Methodology (supporting) Contribution: Investigation (equal) Agency for Science Technology and Research Singapore 138634 Singapur Contribution: Investigation (supporting) Methodology (supporting) Contribution: Investigation (supporting) Contribution: Formal analysis (lead) Funding acquisition (equal) Investigation (lead) Methodology (equal) Writing - original draft (equal) Writing - review & editing (equal) Contribution: Conceptualization (lead) Formal analysis (lead) Funding acquisition (lead) Investigation (equal) Methodology (lead) Project administration (lead) Supervision (lead) Writing - original draft (equal) Writing - review & editing (equal)

Geschichtete Doppelhydroxide (LDHs), deren Bildung stark von der OH-Konzentration abhängt, haben in verschiedenen Bereichen großes Interesse geweckt. Die Auswirkung der Echtzeit-Änderung der OH − Konzentration auf die Bildung von LDHs wurde jedoch noch nicht vollständig erforscht, da die bestehenden Synthesemethoden für die in situ Charakterisierung nicht geeignet sind. Hier bietet die gezielt entwickelte Kombination aus NH 3 -Gasdiffusion und in situ pH-Messung eine Lösung für das oben genannte Problem. Die so erhaltenen Ergebnisse deckten den Bildungsmechanismus auf und führten dazu, dass wir eine Bibliothek von LDHs mit den gewünschten Eigenschaften in Wasser bei Raumtemperatur ohne jegliche Additive synthetisieren konnten. Nach der Bewertung ihrer Sauerstoffentwicklungsreaktionsleistung stellten wir fest, dass FeNi-LDH mit einem Fe/Ni-Verhältnis von 25/75 eine der besten, der bisher berichteten, Leistungen aufweist.

关键词： Bildungsmechanismus Geschichtetes Doppelhydroxid OH−-Konzentration Sauerstoffentwicklungsreaktion In-Situ-Charakterisierung

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Empirical topological investigation of practical supply chains based on complex networks

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Chinese Physics B 2017年第11期26卷 144-150页

作者：廖好沈婧吴兴桐陈博奎周明洋 National Engineering Laboratory for Big Data Computing Systems Guangdong Province Key Laboratory of Popular High Performance ComputersCollege of Computer Science and Software Engineering Shenzhen University Department of Computer Science School of Computing National University of Singapore

The industrial supply chain networks basically capture the circulation of social resource, dominating the stability and efficiency of the industrial system. In this paper, we provide an empirical study of the topology of smartphone supply chain network. The supply chain network is constructed using open online data. Our experimental results show that the smartphone supply chain network has small-world feature with scale-free degree distribution, in which a few high degree nodes play a key role in the function and can effectively reduce the communication cost. We also detect the community structure to find the basic functional unit. It shows that information communication between nodes is crucial to improve the resource utilization. We should pay attention to the global resource configuration for such electronic production management.

关键词： China supply chain networks complex networks data science network science

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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

arXiv

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arXiv 2023年

作者： Eastman, Peter Galvelis, Raimondas Peláez, Raúl P. Abreu, Charlles R.A. Farr, Stephen E. Gallicchio, Emilio Gorenko, Anton Henry, Michael M. Hu, Frank Huang, Jing Krämer, Andreas Michel, Julien Mitchell, Joshua A. Pande, Vijay S. Rodrigues, João P.G.L.M. Rodriguez-Guerra, Jaime Simmonett, Andrew C. Singh, Sukrit Swails, Jason Turner, Philip Wang, Yuanqing Zhang, Ivy Chodera, John D. De Fabritiis, Gianni Markland, Thomas E. Department of Chemistry Stanford University StanfordCA94305 United States Acellera Labs C Dr Trueta 183 Barcelona08005 Spain C Dr. Aiguader 88 Barcelona08003 Spain Chemical Engineering Department School of Chemistry Federal University of Rio de Janeiro Rio de Janeiro68542 Brazil Redesign Science Inc. 180 Varick St. New YorkNY10014 United States EaStCHEM School of Chemistry University of Edinburgh EH9 3FJ United Kingdom Department of Chemistry and Biochemistry Brooklyn College The City University of New York NY United States Ph.D. Program in Chemistry Ph.D. Program in Biochemistry The Graduate Center of the City University of New York New YorkNY United States Stream HPC Koningin Wilhelminaplein 1 - 40601 Amsterdam1062 HG Netherlands Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University 18 Shilongshan Road Zhejiang Hangzhou310024 China Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 12 Berlin14195 Germany The Open Force Field Initiative Open Molecular Software Foundation DavisCA95616 United States Andreessen Horowitz 2865 Sand Hill Rd Menlo ParkCA94025 United States Department of Structural Biology Stanford University StanfordCA94305 United States Charité Universitätsmedizin Berlin In silico Toxicology and Structural Bioinformatics Virchowweg 6 Berlin10117 Germany Laboratory of Computational Biology National Heart Lung and Blood Institute National Institutes of Health BethesdaMD20892 United States Entos Inc. 9310 Athena Circle La Jolla CA92037 United States College of Engineering Virginia Polytechnic Institute State University BlacksburgVA24061 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University 24 Waverly Place New YorkNY10004 United States T

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models can be added to a simulation and used to compute forces and energy. A higher-level interface allows users to easily model their molecules of interest with general purpose, pretrained potential functions. A collection of optimized CUDA kernels and custom PyTorch operations greatly improves the speed of simulations. We demonstrate these features on simulations of cyclin-dependent kinase 8 (CDK8) and the green fluorescent protein (GFP) chromophore in water. Taken together, these features make it practical to use machine learning to improve the accuracy of simulations at only a modest increase in cost. Copyright © 2023, The Authors. All rights reserved.

关键词： Machine learning

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Virtual Campus Roaming Based on HTC VIVE

Virtual Campus Roaming Based on HTC VIVE

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International Conference on Virtual Reality and Visualization (ICVRV)

作者： Xin Zheng Hui Lv Jie Sun Junli Zhao Zuohao Yan School of Data Science and Software Engineering Qingdao University Qingdao China College of Arts Qingdao University Qingdao China

ISBN: (纸本)9781538684986;9781538684979

Virtual campus roaming is the combination of scene roaming technology and virtual building scene, and it is an important branch of virtual reality technology. The virtual campus roaming system of Qingdao University has been established on the HTC VIVE platform. The interactive roaming between the experiencer and the virtual campus has been realized and the immersive effect has been achieved. The running results show that the HTC VIVE-based virtual campus roaming system of Qingdao University can better display the school profile and has a good human-computer interaction, which not only helps the outside world to understand the school environment, but also provides a basis for the digital campus.

关键词： Conferences Virtual reality Visualization

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Mechanically Interlocked Rotaxane Aerogels with Tunable Morphologies and Mechanical Properties

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Angewandte Chemie 2023年第37期135卷

作者： Zhen Luo Dr. Xinhai Zhang Jun Zhao Ruixue Bai Dr. Chunyu Wang Yuanhao Wang Dr. Dong Zhao Prof. Xuzhou Yan School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative Molecules Shanghai Jiao Tong University Shanghai 200240 P. R. China Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Software (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Funding acquisition (lead) Investigation (lead) Methodology (lead) Validation (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Visualization (supporting) Contribution: Investigation (supporting) Methodology (supporting) Contribution: Writing - review & editing (supporting) Contribution: Investigation (supporting) Contribution: Conceptualization (lead) Funding acquisition (lead) Investigation (lead) Methodology (lead) Supervision (lead) Writing - original draft (lead) Writing - review & editing (lead)

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On safeguarding privacy and security in the framework of federated learning

arXiv

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arXiv 2019年

作者： Ma, Chuan Li, Jun Ding, Ming Yang, Howard H. Shu, Feng Quek, Tony Q.S. Vincent, H. School of Electronic and Optical Engineering Nanjing University of Science and Technology Nanjing China Department of Software Engineering Institute of Cybernetics National Research Tomsk Polytechnic University Tomsk634050 Russia Data61 CSIRO Australia Information System Technology and Design Pillar Singapore University of Technology and Design Department of Electrical Engineering Princeton University PrincetonNJ08544 United States

Motivated by the advancing computational capacity of wireless end-user equipment (UE), as well as the increasing concerns about sharing private data, a new machine learning (ML) paradigm has emerged, namely federated learning (FL). Specifically, FL allows a decoupling of data provision at UEs and ML model aggregation at a central unit. By training model locally, FL is capable of avoiding data leakage from the UEs, thereby preserving privacy and security to some extend. However, even if raw data are not disclosed from UEs, individual's private information can still be extracted by some recently discovered attacks in the FL architecture. In this work, we analyze the privacy and security issues in FL, and raise several challenges on preserving privacy and security when designing FL systems. In addition, we provide extensive simulation results to illustrate the discussed issues and possible solutions. Copyright © 2019, The Authors. All rights reserved.

关键词： Machine learning

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A mobile cloud-based ehealth scheme

arXiv

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arXiv 2020年

作者： Liu, Yihe Abbasi, Aaqif Afzaal Aghaei, Atefeh Abbasi, Almas Mosavi, Amir Shamshirband, Shahab Al-qaness, Mohammed A.A. Data Recovery Key Laboratory of Sichuan Province College of Computer Science and AI Neijiang Normal University Neijiang641100 China Department of Software Engineering Foundation University Islamabad44000 Pakistan Department of Communication Faculty of Social Sciences University of Tehran Tehran*** Iran Department of Computer Science International Islamic University Islamabad46000 Pakistan Institute of Research and Development Duy Tan University Da Nang550000 Viet Nam Kalman Kando Faculty of Electrical Engineering Obuda University Budapest1034 Hungary School of the Built Environment Oxford Brookes University OxfordOX3 0BP United Kingdom Department for Management of Science and Technology Development Ton Duc Thang University Ho Chi Minh City Viet Nam Faculty of Information Technology Ton Duc Thang University Ho Chi Minh City Viet Nam School of Computer Science Wuhan University Wuhan430072 China

Mobile cloud computing is an emerging field that is gaining popularity across borders at a rapid pace. Similarly, the field of health informatics is also considered as an extremely important field. This work observes the collaboration between these two fields to solve the traditional problem of extracting Electrocardiogram signals from trace reports and then performing analysis. The developed system has two front ends, the first dedicated for the user to perform the photographing of the trace report. Once the photographing is complete, mobile computing is used to extract the signal. Once the signal is extracted, it is uploaded into the server and further analysis is performed on the signal in the cloud. Once this is done, the second interface, intended for the use of the physician, can download and view the trace from the cloud. The data is securely held using a password-based authentication method. The system presented here is one of the first attempts at delivering the total solution, and after further upgrades, it will be possible to deploy the system in a commercial *** Codes 68T05 Copyright © 2020, The Authors. All rights reserved.

关键词： Signal analysis

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Modulating the Reaction Configuration by Breaking the Structural Symmetry of Active Sites for Efficient Photocatalytic Reduction of Low-concentration CO2

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Angewandte Chemie 2023年第42期135卷

作者： Wenyuan Lyu Dr. Yang Liu Jingyi Zhou Datong Chen Dr. Xin Zhao Dr. Ruiqi Fang Dr. Fengliang Wang Prof. Yingwei Li School of Chemistry and Chemical Engineering South China University of Technology Guangzhou 510640 China Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Writing - original draft (equal) Writing - review & editing (equal) Guangdong Provincial Key Laboratory of Petrochemical Pollution Process and Control School of Environmental Science and Engineering Guangdong University of Petrochemical Technology Maoming Guangdong 525000 China Contribution: Methodology (equal) Software (lead) Contribution: Formal analysis (equal) Investigation (equal) Contribution: Formal analysis (supporting) Investigation (equal) Contribution: Formal analysis (supporting) Contribution: Formal analysis (equal) Funding acquisition (equal) Investigation (equal) Methodology (equal) Supervision (lead) Visualization (equal) Writing - original draft (equal) Writing - review & editing (lead) State Key Laboratory of Pulp and Paper Engineering South China University of Technology Guangzhou 510640 China Contribution: Conceptualization (equal) Funding acquisition (lead) Project administration (lead) Resources (lead) Supervision (equal) Writing - review & editing (equal)

Photocatalytic conversion of low-concentration CO 2 is considered as a promising way to simultaneously mitigate the environmental and energy issues. However, the weak CO 2 adsorption and tough CO 2 activation process seriously compromise the CO production, due to the chemical inertness of CO 2 molecule and the formed fragile metal-C/O bond. Herein, we designed and fabricated oxygen vacancy contained Co 3 O 4 hollow nanoparticles on ordered macroporous N-doped carbon framework (Vo−HCo 3 O 4 /OMNC) towards photoreduction of low-concentration CO 2 . In situ spectra and ab initio molecular dynamics simulations reveal that the constructed oxygen vacancy is able to break the local structural symmetry of Co−O−Co sites. The formation of asymmetric active site switches the CO 2 configuration from a single-site linear model to a multiple-sites bending one with a highly stable configuration, enhancing the binding and structural polarization of CO 2 molecules. As a result, Vo−HCo 3 O 4 /OMNC shows unprecedent activity in the photocatalytic conversion of low-concentration CO 2 (10 % CO 2 /Ar) under laboratory light source or even natural sunlight, affording a syngas yield of 337.8 or 95.2 mmol g −1 h −1 , respectively, with an apparent quantum yield up to 4.2 %.

关键词： CO2 Reduction Metal–Organic Frameworks Oxygen Vacancy Photocatalysis Synthesis Gas

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Construction of Catalytic Covalent Organic Frameworks with Redox-Active Sites for the Oxygen Reduction and the Oxygen Evolution Reaction

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Angewandte Chemie 2022年第49期134卷

作者： Minghao Liu Sijia Liu Dr. Cheng-Xing Cui Qiyang Miao Prof. Yue He Prof. Xuewen Li Prof. Qing Xu Prof. Gaofeng Zeng CAS Key Laboratory of Low-Carbon Conversion Science and Engineering Shanghai Advanced Research Institute (SARI) Chinese Academy of Sciences (CAS) Shanghai 201210 P. R. China School of Chemical Engineering University of Chinese Academy of Sciences 19A Yuquan Road Beijing 100049 P. R. China Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Writing - original draft (lead) Writing - review & editing (supporting) Contribution: Conceptualization (equal) Data curation (equal) Investigation (equal) Writing - original draft (equal) School of Chemistry and Chemical Engineering Henan Institute of Science and Technology Xinxiang 453003 P. R. China Contribution: Methodology (lead) Software (lead) Writing - original draft (supporting) Contribution: Conceptualization (supporting) Software (supporting) Department of Oral and Maxillofacial-Head and Neck Oncology Shanghai Ninth People's Hospital Shanghai Jiao Tong University Shanghai 200011 P. R. China Contribution: Project administration (equal) Resources (equal) Writing - original draft (equal) Contribution: Data curation (supporting) Investigation (supporting) Methodology (supporting) Contribution: Conceptualization (lead) Project administration (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Conceptualization (equal) Funding acquisition (lead) Project administration (lead) Writing - original draft (equal) Writing - review & editing (lead)

Construction of catalytic covalent organic frameworks (COFs) for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is significant but rarely demonstrated. In this work, we have first constructed bifunctional COFs towards ORR and OER by integrating diarylamine derivatives into the Co-porphyrin based frameworks. Both of the new COFs (CoTAPP-PATA-COF and CoTAPP-BDTA-COF) have good ordered structures, high surface areas, and robust chemical stability. The diarylamine units, as a typical electron donor and redox-active cores, promote intramolecular electron transport along the frameworks and improve the electrochemically active surface areas. Thus, the COFs showed higher catalytic activities than that of the COF without redox-active units. CoTAPP-PATA-COF had a halfwave potential of 0.80 V towards ORR, and delieved an overpotential of 420 mV for OER in 0.1 M KOH. The theoretical calculation revealed introducing diarylamine unites improved the oxygen electrocatalysis.

关键词： Bifunctional Catalysts Covalent Organic Frameworks Oxygen Evolution Reaction Oxygen Reduction Reaction Redox-Active Sites

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