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Unimolecular Reactions of E-Glycolaldehyde Oxide and Its Reactions with One and two Water Molecules

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Research 2024年第1期2023卷 809-824页

作者： Yan sun Bo Long Donald G.truhlar Department of Physics Guizhou UniversityGuiyang 550025China College of Materials Science and Engineering Guizhou Minzu UniversityGuiyang 550025China Department of Chemistry Chemical Theory Centerand Supercomputing InstituteUniversity of MinnesotaMinneapolisMN 55455-0431USA

the kinetics of Criegee intermediates are important for atmospheric ***,the quantitative kinetics of Criegee intermediates are still very limited,especially for those with hydroxy ***,we calculate rate constants for the unimolecular reaction of E-glycolaldehyde oxide[E-hydroxyethanal oxide,E-(CH_(2)OH)CHOO],for its reactions with H_(2)O and(H_(2)O)_(2),and for the reaction of the E-(CH_(2)OH)CHOO…H_(2)O complex with H_(2)*** the highest level of electronic structure,we use W3X-L//CCSD(t)-F12a/cc-pVDz-F12 for the unimolecular reaction and the reaction with water and W3X-L//DF-CCSD(t)-F12b/jun-cc-pVDz for the reaction with 2 water *** the dynamics,we use a dual-level strategy that combines conventional transition state theory with the highest level of electronic structure and multistructural canonical variational transition state theory with small-curvature tunneling with a validated density functional for the electronic structure.

关键词： structure kinetics molecular

Advancements on metal oxide semiconductor photocatalysts in photo-electrochemical conversion of carbon dioxide into fuels and other useful products

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Frontiers in Energy 2024年第2期18卷 187-205页

作者： Jai PRAKASH zhangsen CHEN Shakshi SAINI Gaixia zHANG Shuhui sun Department of Chemistry National Institute of Technology HamirpurHamirpur 177005India Institut National de la Recherche Scientifique(INRS) Centre Énergie Matériaux TélécommunicationsVarennes J3X 1P7Canada Department of Chemistry Indian Institute of Technology MandiHimachal PradeshIndia Department of Electrical Engineering École de Technologie SupérieureMontréal H3C 1K3Canada

Due to its fascinating and tunable optoelectronic properties,semiconductor nanomaterials are the best choices for multidisciplinary ***,the use of semiconductor photocatalysts is one of the promising ways to harness solar energy for useful applications in the field of energy and *** recent years,metal oxide-based tailored semiconductor photocatalysts have extensively been used for photocatalytic conversion of carbon dioxide(CO_(2))into fuels and other useful products utilizing solar *** is very significant not only from renewable energy consumption but also from reducing global warming point of *** current research activities are promising for a better future of *** present mini-review is focused on recent developments(2–3 years)in metal oxide semiconductor hybrid photocatalysts-based photo-electrochemical conversion of CO_(2)into fuels and other useful ***,general mechanism of photo-electrochemical conversion of CO_(2)into fuels or other useful products has been ***,various metal oxide-based emerging hybrid photocatalysts including tailoring of their morphological,compositional,and optoelectronic properties have been discussed with emphasis on their role in enhancing photoelectrochemical ***,mechanism of their photo-electrochemical reactions and applications in CO_(2)conversion into fuels/other useful products have been ***,challenges and future prospects have been discussed followed by a summary.

关键词： metal-oxide semiconductors nanohybrid photocatalysts photo-electrochemical CO_(2)conversion tailoring morphology fuels challenges and future prospects

A two-Layer Encoding Learning Swarm Optimizer Based on Frequent Itemsets for Sparse Large-Scale Multi-Objective Optimization

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IEEE/CAA Journal of Automatica Sinica 2024年第6期11卷 1342-1357页

作者： Sheng Qi Rui Wang tao zhang Xu Yang Ruiqing sun Ling Wang College of Systems Engineering National University of Defense TechnologyChangsha 410073China Xiangjiang Laboratory Changsha 410205China College of Computer National University of Defense TechnologyChangsha 410073China Department of Automation Tsinghua UniversityBeijing 100084China IEEE

traditional large-scale multi-objective optimization algorithms(LSMOEAs)encounter difficulties when dealing with sparse large-scale multi-objective optimization problems(SLM-OPs)where most decision variables are *** a result,many algorithms use a two-layer encoding approach to optimize binary variable Mask and real variable Dec ***,existing optimizers often focus on locating non-zero variable posi-tions to optimize the binary variables ***,approxi-mating the sparse distribution of real Pareto optimal solutions does not necessarily mean that the objective function is *** data mining,it is common to mine frequent itemsets appear-ing together in a dataset to reveal the correlation between *** by this,we propose a novel two-layer encoding learning swarm optimizer based on frequent itemsets(tELSO)to address these *** mined the frequent terms of multiple particles with better target values to find mask combinations that can obtain better objective values for fast ***-mental results on five real-world problems and eight benchmark sets demonstrate that tELSO outperforms existing state-of-the-art sparse large-scale multi-objective evolutionary algorithms(SLMOEAs)in terms of performance and convergence speed.

关键词： Evolutionary algorithms learning swarm optimiza-tion sparse large-scale optimization sparse large-scale multi-objec-tive problems two-layer encoding.

Recent advances in stretchable triboelectric nanogenerators for use in wearable bioelectronic devices

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Bio-Design and Manufacturing 2024年第4期7卷 566-590页

作者： Yaling Wang Pengcheng zhu Yue sun Pan Li Yanchao Mao College of Science Henan Agricultural UniversityZhengzhou 450002China Key Laboratory of Materials Physics of Ministry of Education School of PhysicsZhengzhou UniversityZhengzhou 450001China

Wearable bioelectronic devices have the capacity for real-time human health monitoring,the provision of tailored services,and natural interaction with smart ***,these wearable bioelectronic devices rely on conventional rigid batteries that are frequently charged or replaced and are incompatible with the skin,leading to a discontinuity in complex therapeutic tasks related to human health monitoring and human-machine *** triboelectric nanogenerator(tENG)is a high-efficiency energy harvesting technology that converts mechanical into electrical energy,effectively powering wearable bioelectronic *** study comprehensively overviews recent advances in stretchable tENG for use in wearable bioelectronic *** working mechanism of stretchable tENG is initially explained.A comprehensive discussion presents the approaches for fabricating stretchable tENG,including the design of stretchable structures and the selection of stretchable ***,applications of wearable bioelectronic devices based on stretchable tENG in human health monitoring(body movements,pulse,and respiration)and human-machine interaction(touch panels,machine control,and virtual reality)are ***,the challenges and developmental trends regarding wearable bioelectronic devices based on stretchable tENG are elaborated.

关键词： Stretchable triboelectric nanogenerators Structure Human health monitoring Human-machine interaction

Broadband intelligent programmable metasurface with polarization-modulated self-adaptive electromagnetic functionality switching

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Photonics Research 2024年第7期12卷 1395-1409页

作者： XIMING LI RUI XU XIAOFENG sun YUAN zHAO zHAO YANG GUOHONG DU College of Electronic Engineering Chengdu University of Information TechnologyChengdu 610225China

Programmable metasurfaces have received a great deal of attention due to their ability to dynamically manipulate electromagnetic(EM) waves. Despite the rapid growth, most of the existing metasurfaces require manual control to switch among different functionalities, which poses severe limitations on practical applications. Here, we put forth an intelligent metasurface that has self-adaptive EM functionality switching in broadband without human participation. It is equipped with polarization discrimination antennas(PDAs) and feedback components to automatically adjust functionalities for the different incident polarization information.

关键词： equipped adjust polarization

Large reversible magnetocaloric effect in antiferromagnetic Er_(3)Si_(2)C_(2) compound

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Journal of Rare Earths 2024年第8期42卷 1555-1559,I0005页

作者： Hao sun Lu tian Xinqiang Gao zhaojun Mo Jun Shen Baogen Shen School of Rare Earths University of Science and Technology of ChinaHefei230026China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou341000China Department of Energy and Power Engineering School of Mechanical EngineeringBeijing Institute of TechnologyBeijing100081China

the magnetic properties,magnetic phase transition and magnetocaloric effects(MCE) of Er_(3)Si_(2)C_(2) compound were investigated based on theoretical calculations and experimental *** on the first principles calculations,the antiferromagnetic(AFM) ground state type in Er_(3)Si_(2)C_(2) compound was predicted and its electronic structure was *** experimental results show that Ei_(3)Si_(2)C_(2) compound is an AFM compound with the Neel temperature(t_(N) of 7 K and undergoes a field-induced firstorder magnetic phase transition from AFM to ferromagnetic(FM) under magnetic fields exceeding 0.6 t at 2 *** magnetic transition process of Er_(3)Si_(2)C_(2) compound was investigated and *** values of the maximum magnetic entropy change(-ΔS_(M)^(max)) and the refrigeration capacity(RC) are 17 J/(kg·K)and 193 J/kg under changing magnetic fields of 0-5 t,*** a potential cryogenic magnetic refrigerant,the Er_(3)Si_(2)C_(2) compound also provides an interesting research medium to study the magnetic phase transition process.

关键词： Magnetic materials Magnetocaloric Metamagnetic transitions Magnetic phase transition Rare earths

Investigating Optical transport Network Performance:A Recurrence Plot Approach

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China Communications 2024年第5期21卷 166-176页

作者： sun Xiaochuan Cao Difei Wei Biao Li zhigang Li Yingqi College of Artificial Intelligence North China University of Science and TechnologyTangshan 063210China Hebei Key Laboratory of Industrial Intelligent Perception Tangshan 063210China

In future optical transport networks,lightpath performance analysis is of great practical significance for fully automated *** general,the quality of transmission(Qot)of lightpaths,measured by optical quality factor or optical signal-to-noise ratio,has a complex time-varying process,along with the interactions of the other lightpath state parameters(LSPs),such as transmit power,chromatic dispersion,polarization mode *** studies are mostly focused on lightpath Qot estimation,but ignoring lightpath-level data *** this case,our article proposes a novel lightpath performance analysis method considering recurrence plot(RP)and cross recurrence plot(CRP).Firstly,we give a detailed interpretation on the recurrence patterns of LSPs via a qualitative 2-D RP representation and its quantitative *** can potentially enable the accurate and fast lightpath failure detection with a low computational *** the other hand,CRP is devoted to modeling the relationships between lightpath Qot and LSPs,and the correlation degree is determined by a geometric mean of multiple indexes of cross recurrence quantification *** the view of application,such CRP analysis can provide the effective knowledge sharing to guarantee more credible Qot *** experiments on a real-world optical network dataset have clearly demonstrated the effectiveness of our proposal.

关键词： CRP analysis lightpath Qot optical transport networks RP analysis

Boosting Multi-modal Ocular Recognition via Spatial Feature Reconstruction and Unsupervised Image Quality Estimation

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Machine Intelligence Research 2024年第1期21卷 197-214页

作者： zihui Yan Yunlong Wang Kunbo zhang zhenan sun Lingxiao He Center for Research on Intelligent Perception and Computing National Laboratory of Pattern RecognitionInstitute of AutomationChinese Academy of SciencesBeijing 100190China JD AI Research Beijing 100176China

In the daily application of an iris-recognition-at-a-distance(IAAD)system,many ocular images of low quality are *** the iris part of these images is often not qualified for the recognition requirements,the more accessible periocular regions are a good complement for *** further boost the performance of IAAD systems,a novel end-to-end framework for multi-modal ocular recognition is *** proposed framework mainly consists of iris/periocular feature extraction and matching,unsupervised iris quality assessment,and a score-level adaptive weighted fusion ***,ocular feature reconstruction(OFR)is proposed to sparsely reconstruct each probe image by high-quality gallery images based on proper feature ***,a brand new unsupervised iris quality assessment method based on random multiscale embedding robustness is *** from the existing iris quality assess-ment methods,the quality of an iris image is measured by its robustness in the embedding *** last,the fusion strategy exploits the iris quality score as the fusion weight to coalesce the complementary information from the iris and periocular *** experi-mental results on ocular datasets prove that the proposed method is obviously better than unimodal biometrics,and the fusion strategy can significantly improve therecognition performance.

关键词： Iris recognition periocular recognition spatial feature reconstruction fully convolutional network flexible matching unsupervised iris quality assessment adaptive weight fusion

S-scheme regulated Ni_(2)P-NiS/twinned Mn_(0.5)Cd_(0.5)S hetero-homojunctions for efficient photocatalytic H_(2)evolution

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Journal of Materials Science & technology 2024年第2期169卷 148-157页

作者： Qiqi zhang zhen Wang Yuhang Song Jun Fan tao sun Enzhou Liu School of Chemical Engineering/Xi’an Key Laboratory of Special Energy Materials Northwest UniversityXi’an 710069China

Effective bulk phase and surface charge separation is critical for charge utilization during the photo-catalytic energy conversion *** this work,the ternary Ni_(2)P-NiS/twinned Mn_(0.5)Cd_(0.5)S(t-MCS)nanohybrids were successfully constructed via combining Ni_(2)P-NiS with t-MCS solid solution for visible light photocatalytic H_(2)evolution.t-MCS is composed of zinc blende Mn_(0.5)Cd_(0.5)S(zB-MCS)and wurtzite Mn_(0.5)Cd_(0.5)S(Wz-MCS)and those two alternatively arranged crystal phases endow t-MCS with excellent bulk phase charge separation performance for the slight energy level difference between zB-MCS and Wz-MCS.S-scheme carriers transfer route between NiS and t-MCS can accelerate the interfacial charge separation and retain the active electrons and holes,meanwhile,co-catalyst Ni_(2)P as electron receiver and proton reduction center can further optimize the H_(2)evolution reaction kinetics based on the surface Schottky barrier *** above-formed homo-heterojunctions can establish multiple charge transfer channels in the bulk phase of t-MCS and interface of t-MCS and Ni_(2)*** the synergistic effect of twinned homojunction,S-scheme heterojunction,and Schottky barrier,the ternary Ni_(2)P-NiS/t-MCS com-posite manifested an H_(2)production rate of 122.5 mmol h^(-1)g^(-1),which was 1.33,1.24,and 2.58 times higher than those of the NiS/t-MCS(92.4 mmol h^(-1)g^(-1)),Ni_(2)P/t-MCS(98.4 mmol h^(-1)g^(-1)),and t-MCS(47.5 mmol h^(-1)g^(-1)),*** work demonstrates a promising strategy to develop efficient sul-fides photocatalyst toward targeted solar-driven H_(2)evolution through homo-heterojunction engineering.

关键词： Photocatalytic H_(2)evolution twinned Mn_(0.5)Cd_(0.5)S Homojunction S-scheme heterojunction Schottky barrier