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Transition metal clusters with precise numbers of atoms anchored on graphdiyne as multifunctional electrocatalysts for OER/ORR/HER:a computational study

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Rare Metals 2024年第7期43卷 3107-3117页

作者： Xin-Yang liu Jing-Wei liu Gang Li Jing-Xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory(DFT) calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM_(1-4)@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions(OER),oxygen reduction reactions(ORR) and hydrogen evolution reactions(HER).The computed results reveal that the Pd_(2),Pd_(4) and Pt_(1) anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.12 and 0.37/0.43/0.01 V,respectively,while Pd_(1) and Pt_(2)@graphdiyne can exhibit excellent catalytic performance for water splitting(OER/HER) with the overpotentials of 0.55/0.17 and 0.43/0.03 *** addition,Ni_(1) and Pd_(3) anchored GDY can perform as bifunctional catalysts for metal-air cells(OER/ORR) and fuels cells(ORR/HER) with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM_(1-4) anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

Knittable and washable aerogel fiber inspired by polar bear hair

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Science China Materials 2024年第2期67卷 705-706页

作者： Yue liu Huisheng Peng State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Scienceand Institute of Fiber Materials and DevicesFudan UniversityShanghai 200438China

The advances in chemistry and materials have boosted the development of smart textiles,which are poised to revolutionize human lifestyles through multifunctional integration,such as heating,cooling,sensing and supplying energy^([1,2]).Among them,thermal insulation is an essential function of textiles to protect humans from complex and extreme environments and realize personal thermal management without energy con-sumption^([3]).

关键词： textiles insulation extreme

Power Flow Analytical Solutions and Multi-dimensional Voltage Stability Boundaries Based on Multivariate Quotient-difference Method

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 1168-1178页

作者： Chengxi liu Qiupin Lai School of Electrical Engineering and Automation Wuhan UniversityWuhan 430072China Hubei Engineering and Technology Research Center for AC/DC Intelligent Distribution Network Wuhan 430072China IEEE

This paper proposes a novel Multivariate Quotient-Difference(MQD)method to obtain the approximate analytical solution for AC power flow ***,in the online environment,the power flow solutions covering different operating conditions can be directly obtained by plugging values into multiple symbolic variables,such that the power injections and consumptions of selected buses or areas can be independently *** method first derives a power flow solution through a Multivariate Power Series(MPS).Next,the MQD method is applied to transform the obtained MPS to a Multivariate Pad´e Approximants(MPA)to expand the Radius of Convergence(ROC),so that the accuracy of the derived analytical solution can be significantly *** addition,the hypersurface of the voltage stability boundary can be identified by an analytical formula obtained from the coefficients of *** direct method for power flow solutions and voltage stability boundaries is fast for many online applications,since such analytical solutions can be derived offline and evaluated online by only plugging values into the symbolic variables according to the actual operating *** proposed method is validated in detail on New England 39-bus and IEEE 118-bus systems with independent load variations in multi-regions.

关键词： Analytical power flow solution multivariate power series multivariate Padéapproximants multivariate quotient-difference multi-dimensional voltage stability boundary

Design of efficient thermoelectric generators

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Science China Materials 2024年第1期67卷 377-378页

作者： Min liu Yanzhong Pei Interdisciplinary Materials Research Center School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Thermoelectricity,which enables direct conversion between heat and electricity,undergoes impressive developments in recent decades,and is particularly promising for recovering low-grade heat of<600 K[1,2].Currently,only Bi2Te3-based thermoelectric devices are commercialized[3].However,the scarcity of tellurium(Te)(Fig.1a)is the main *** leads to numerous recent efforts on the development of efficient nonBi2Te3 thermoelectrics as potential alternatives,and successful examples(Fig.1b)include Mg3Sb2-alloys[2,3]and MgAgSb[1,2].

关键词： enable efficient electricity

A simple path to ambient temperature ionic H^(-)superconductors

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Science China Chemistry 2024年第1期67卷 321-322页

作者： Bingru liu Shiyuan liu Jianglan Shui School of Materials Science and Engineering Beihang UniversityBeijing 100191China

Hydride ion(H^(-))has high polarizability(α_(H^(-))=10.17A^(3))and high redox potential(H^(-)/H_(2):-2.3 V),and therefore is an attractive energy carrier[1,2].The H^(-)superconductors play a crucial role in the devel... 详细信息

关键词： attractive ambient superconductors

A combinatorial synthesis method for identification of orally bioavailable cyclic peptide

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Science China Chemistry 2024年第8期67卷 2429-2430页

作者： Zhenzhen liu Li liu Bo Tang College of Chemistry Chemical Engineering and Materials ScienceKey Laboratory of Molecular and Nano ProbesMinistry of EducationCollaborative Innovation Center of Functionalized Probes for Chemical Imaging in Universities of ShandongInstitutes of Biomedical SciencesShandong Normal UniversityJinan 250014China Laoshan Laboratory Qingdao 266237China

Cyclic peptides are a type of polypeptide with macrocyclic structure formed by canonical and non-canonical amino *** to their rigid conformation and large surface area,cyclic peptides typically exhibit high binding affinity and specificity with target proteins,particularly those considered undruggable by traditional small molecule drugs,such as protein-protein interactions[1].Additionally,they are convenient to be chemical modified to improve the pharmacological or pharmacokinetic properties.

关键词： properties. canonical synthesis

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Multi-granularity sequence generation for hierarchical image classification

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Computational Visual Media 2024年第2期10卷 243-260页

作者： Xinda liu Lili Wang State Key Laboratory of Virtual Reality Technology and Systems Beihang UniversityBeijing 100191China Peng Cheng Laboratory Shengzhen 518000China

Hierarchical multi-granularity image classification is a challenging task that aims to tag each given image with multiple granularity labels *** methods tend to overlook that different image regions contribute differently to label prediction at different granularities,and also insufficiently consider relationships between the hierarchical multi-granularity *** introduce a sequence-to-sequence mechanism to overcome these two problems and propose a multi-granularity sequence generation(MGSG)approach for the hierarchical multi-granularity image classification ***,we introduce a transformer architecture to encode the image into visual representation ***,we traverse the taxonomic tree and organize the multi-granularity labels into sequences,and vectorize them and add positional *** proposed multi-granularity sequence generation method builds a decoder that takes visual representation sequences and semantic label embedding as inputs,and outputs the predicted multi-granularity label *** decoder models dependencies and correlations between multi-granularity labels through a masked multi-head self-attention mechanism,and relates visual information to the semantic label information through a crossmodality attention *** this way,the proposed method preserves the relationships between labels at different granularity levels and takes into account the influence of different image regions on labels with different *** on six public benchmarks qualitatively and quantitatively demonstrate the advantages of the proposed *** project is available at https://***/liuxindazz/mgs.

关键词： hierarchical multi-granularity classification vision and text transformer sequence generation fine-grained image recognition cross-modality attenti

Global adaptive output-feedback tracking with prescribed performance for uncertain nonlinear systems

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Science China(Information Sciences) 2024年第5期67卷 150-164页

作者： Yuan WANG Yungang liu School of Control Science and Engineering Shandong University

At present, one typical control strategy for guaranteeing transient and steady-state performance is funnel control and prescribed performance control. The strategy features completely discarding the system nonlinearities, even if they are completely known and available. Such an intrinsic feature requires the controller to produce a larger control effect to eliminate the negative impact caused by the high nonlinearities, leading to a conservative controller. In this paper, we fully take advantage of known information on nonlinearities in control design, instead of completely discarding it as done in funnel control. Particularly, we leverage adaptive techniques(i.e., high-gain dynamic compensation) to deal with unknown system nonlinearities. Meanwhile, we integrate the tools of output feedback, tracking control, and the performance *** such, an adaptive output-feedback scheme is developed for global tracking with spatiotemporal performance specifications: arbitrarily given tracking accuracy and accuracy-ensured time. A simulation example supports the developed approach.

关键词： uncertain nonlinear systems output feedback prescribed performance unknown control direction dynamic high gain global tracking

Reconfigurable optical neural networks with Plug-and-Play metasurfaces

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Opto-Electronic Advances 2024年第7期7卷 1-3页

作者： Yongmin liu Yuxiao Li Department of Mechanical and Industrial Engineering Northeastern UniversityBostonMassachusetts 02115USA Department of Electrical and Computer Engineering Northeastern UniversityBostonMassachusetts 02115USA

In a very recent study,*** Huang and co-workers proposed and demonstrated reconfigurable optical neural networks based on cascaded *** fixing one metasurface and switching the other pluggable metasurfaces,the neural networks,which operate at near-infrared wavelengths,can perform distinct recognition tasks for handwritten digits and fashion *** innovative device opens up an avenue for all-optical,high-speed,low-power,and multifunctional artificial intelligence systems.

关键词： surfaces networks neural