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Science china Chemistry 2024年第3期67卷 898-907页

作者： Yuenian xu Yan Zhang Yong Liu wen-Wu Sun Jie Huang Hui he Yingjie Wu wen Liu Shao-Fei Ni xu-Qiong Xiao Xinxin Shao College of Material Chemistry and Chemical EngineeringKey Laboratory of Organosilicon Chemistry and Material Technology of Ministry of EducationHangzhou Normal UniversityHangzhou 311121China school of Pharmaceutical Sciences South-Central Minzu UniversityWuhan 430074China Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guang-dong Province Shantou UniversityShantou 515063China

Zinc-promoted umpolung thiolation of alkyl electrophiles with masked sulfur transfer reagents in the absence of nickel or copper catalysis is described. This protocol proceeds via a SET process of Zn to electrophilic sulfur reagent followed by insertion of Zn into disulfide and nucleophilic thiolation, providing straightforward access to a wide range of alkyl sulfides with broad substrate scope. A neutral TMEDA-ligated four-coordinated zinc thiolate with tetrahedra geometry was synthesized, isolated and fully characterized by NMR, IR and X-ray analysis. More importantly, the chemical reactivity of this active intermediate has been investigated, enabling the construction of C-Se, C-Te, Sb-S and Bi-S bonds to prepare valuable sulfur-containing molecules and beyond.

关键词： umpolung thiolation C(sp^(3))-S bond formation masked sulfur reagents reductive coupling

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Synthesis,chemical bonding and reactivity of new medium-sized polyarsenides

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Chinese chemical Letters 2024年第7期35卷 497-501页

作者： xu-Hui Yue Xiang-wen Zhang Hui-Min he Lei Qiao Zhong-Ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Institution Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of Physics Institute of Computational and Applied PhysicsTaiyuan Normal UniversityJinzhong 030619China

Gaining an understanding of the growth mechanism from single atoms to clusters and bulk materials continues to present a ***,it is important to explore the evolving trends of clusters in the structure and properties during the size *** this work,we report the synthesis and characterization of two medium-sized chain-like polyarsenic anions.[As_(21)]^(3-)represents a trimeric example of polyarsenic anion assembled through oxidative coupling of As_(7)^(3-)*** anion As_(18)^(4-)included in[As_(18)MO_(2)(CO)_(8)]^(4-)is regarded as formed by two realgar-type As_(8)subunits connected by a dinuclear AsAs *** As_(18)cluster was previously predicted by theory,and this is the first time successfully synthesized using wet chemistry ***,small-sized polyarsenides As_(2)^(2-)and As_(10)^(2-)were found in compound[K(18-crown-6)]_(3)[As_(10)]_(0.5)[As_(4){Mo(CO)_(3)}_(2)]_(0.5)·*** these,the former exhibits coordination with metal ***-crystal X-ray diffraction combined with quantum chemical calculations revealed the formation of double bonded As_(2)^(2-)stabilized by metal carbonyl *** work demonstrates a novel synthetic approach for the preparation of new polyarsenides and highlights their intriguing bonding characteristics,laying the foundation for the synthesis of such compounds and paving the way for their potential applications.

关键词： Polyarsenide Zintl anions Chain-like cluster DFT calculations AdNDP

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Highly Conductive Ag/pCF/MVQ Composite Rubber for Efficient Electromagnetic Interference Shielding

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Chinese Journal of Polymer Science 2024年第6期42卷 864-873页

作者： Yang Chen Xiao-Ming Shao Liang he Yi-Nuo xu Qi-Yuan Yao Ding Feng wen-Cai Wang State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing100029China Key Laboratory of Beijing City for Preparation and Processing of Novel Polymer Materials Beijing University of Chemical TechnologyBeijing100029China Sino-german school of engineering Qingdao University of Science and TechnologyQingdao266400China

In this study,flexible and highly conductive composite rubber at low filler content was successfully prepared through polydopamine-assisted electroless silver plating plus mechanical ***,carbon fibers(CF)were activated by polydopamine(PDA)to improve the surface activity by self-polymerization ***,because of the metal chelating ability of PDA,silver layer was firmly deposited on the surface of CF through a facile electroless silver plating ***,flexible silver-plated carbon fibers(Ag/pCF)silicone rubber composites prepared by mechanical *** using X-ray photoelectron spectroscopy(XPS)and X-ray diffraction(XRD),the chemical composition and crystal structure of Ag/pCF were examined,and scanning electron microscopy(SEM)was used to assess the surface morphology of the Ag/*** results showed that a uniform and dense silver layer was formed on the surface of the CF,and the conductivity of the Ag/pCF could reach 7885 S/*** was noteworthy that the composite rubber filled with only 45 phr Ag/pCF had a high electromagnetic interference shielding effectiveness(100 dB)due to the low density and high aspect ratio of Ag/*** composite rubber has excellent potential for application in the field of electromagnetic interference shielding.

关键词： Carbon fibers Polydopamine Electroless plating Silver Electromagnetic interference shielding

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Palladium Complexes with N,O-Bidentate Ligands Based on N-Oxide Units from Cyclic Secondary Amines:Synthesis and Catalytic Application in Mizoroki-heck Reaction

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Chinese Journal of Chemistry 2024年第3期42卷 294-300页

作者： xuefeng Jia Yanyan wen Changhui he Xianqiang Huang Key Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education School of Chemistry and Materials ScienceShanxi Normal UniversityTaiyuanShanxi030032 China Shandong Provincial Key Laboratory of chemical Energy Storage and Novel Cell Technology School of Chemistry & Chemical EngineeringLiaocheng UniversityLiaochengShandong252059 China

Palladium-catalyzed Mizoroki-heck reaction is a powerful and efficient method for construction of Csp2–Csp2 ***,four palladium complexes(I—IV)with N,O-bidentate ligands(L1—L4)based on N-oxide units from cyclic secondary amines were easily synthesized and successfully applied in Mizoroki-heck reaction of aryl bromides with electron-deficient olefins.X-ray diffraction analyses indicated the palladium(II)atom of II took the distorted square planar geometry and was four-coordinated by nitrogen and oxygen atoms from two ligands(L2).Two free chloride ions were presented as counter anions in complex *** the palladium(II)center of IV was coordinated by nitrogen and oxygen atoms from one ligand(L4)as well as two chlorine atoms,which exhibited the nearly square-planar *** study on catalytic properties of palladium complexes revealed that complex II exhibited high activity superior to the other *** coupling reactions of a series of aryl bromides and olefin derivatives proceeded in the presence of 2—5 mol%palladium complex II,giving the desired products in good to excellent *** advantages of this method such as good compatibility of functional groups,high yields,and short reaction times made it more attractive for constructing Csp2–Csp2 bonds in the synthesis of functional molecules and materials.

关键词： Palladium complexes N,O-Bidentate ligands N-Oxide units Mizoroki-heck reaction Aryl bromide Electron-deficient olefins C—C coupling Homogeneous catalysis Substituent effects

Decision and Coordination in a Closed-Loop Supply Chain with Product Recycling Under Different Low-Carbon Regulations

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Journal of the Operations Research Society of china 2024年第3期12卷 695-728页

作者： Qian-Dong Dong Hai-wen xu school of Management and engineering Nanjing UniversityNanjing210093JiangsuChina school of Science Civil Aviation Flight University of ChinaGuanghan618307SichuanChina

The implementation of recycling activity is of great significance to closed-loop supply chain ***’environmental awareness and governmental subsidy are considered in the two-echelon closed-loop supply *** types of decision-making structures are proposed under different carbon emission *** subsidy sharing mechanism is designed to resolve the channel members’conflict caused by double *** paper provides insight into the effect of environmental awareness and government subsidy under different low-carbon regulations on the supply chain benefit and social welfare via the game *** analysis results display that the government subsidy and subsidy sharing mechanism are profitably beneficial to the whole supply chain and social ***,a noteworthy result reveals that social welfare is not always directly proportional to consumers’environmental *** welfare decreases slightly with the increase in consumers’environmental awareness when consumers’environmental awareness is ***,social welfare will be significantly improved when consumers’environmental awareness increases beyond a certain threshold.

关键词： Closed-loop supply chain Recycling Coordination Social welfare Game theory Carbon emissions

Advances and challenges in thermal runaway modeling of lithium-ion batteries

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The Innovation 2024年第4期5卷 172-186,171页

作者： Gongquan Wang Ping Ping Depeng Kong Rongqi Peng xu he Yue Zhang Xinyi Dai Jennifer wen Center for Offshore engineering and Safety Technology China University of Petroleum(East China)Qingdao 266580China College of chemical engineering China University of Petroleum(East China)Qingdao 266580China Centre for Energy Resilience School of Mechanical Engineering SciencesUniversity of SurreyGuildfordSurrey GU27XHUK

The broader application of lithium-ion batteries(LIBs)is constrained by safety concerns arising from thermal runaway(TR).Accurate prediction of TR is essential to comprehend its underlying mechanisms,expedite battery design,and enhance safety protocols,thereby significantly promoting the safer use of *** complex,nonlinear nature of LIB systems presents substantial challenges in TR modeling,stemming from the need to address multiscale simulations,multiphysics coupling,and computing efficiency *** paper provides an extensive review and outlook on TR modeling technologies,focusing on recent advances,current challenges,and potential future *** begin with an overview of the evolutionary processes and underlying mechanisms of TR from multiscale perspectives,laying the foundation for TR *** a comprehensive understanding of TR phenomena and mechanisms,we introduce a multiphysics coupling model framework to encapsulate these *** this framework,we detail four fundamental physics modeling approaches:thermal,electrical,mechanical,and fluid dynamic models,highlighting the primary challenges in developing and integrating these *** address the intrinsic trade-off between computational accuracy and efficiency,we discuss several promising modeling strategies to accelerate TR simulations and explore the role of AI in advancing next-generation TR ***,we discuss challenges related to data availability,model scalability,and safety standards and regulations.

关键词： lithium thermal modeling

Mechanism analysis of foam penetration in EPB shield tunnelling with a focus on FER and soil particle size

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Underground Space 2024年第4期17卷 170-187页

作者： he Huang Quan Sun Tao xu Wanhuan Zhou State Key Laboratory of Internet of Things for Smart City and Department of Civil and environmental engineering University of MacaoMacao 999078China Department of Civil and environmental engineering University of MacaoMacao 999078China school of Transportation Southeast UniversityNanjing 210000China

Parameters of foam penetration in earth pressure balance(EPB)shield tunnelling,such as permeability coefficients and penetration distances,significantly impact tunnel face ***,existing studies have faced inaccuracies in analysing these parameters due to imitations in experimental *** study addresses this issue by employing enhanced methods for a more precise analysis of foam *** involving three distinct sand types(coarse,medium,and fine)and three foam expansion ratios(FER)(10,15,and 20)are conducted using a modified model test *** from a novel computer vision-based method,the model test outcomes unveil two distinct foam penetration paths:liquid migration(L_(w))and bubble migration(L_(f)).Three penetration phases-namely,injection,blockage&drainage,and breakage—are identified based on L_(w)and L_(f)*** initial"injection"phase conforms to Darcy’s law and is amenable to mathematical *** foam with FER of 15 has the maximum viscosity and,hence the L_(f)and permeability in the penetration tests with FER of 15 are the lowest in the same *** bubble size distribution of foam with different FER shows minor ***,the characteristics of foam penetration vary due to the distinct particle size distribution(PSD)of different *** penetration creates low-permeability layers in both medium and fine sands due to the larger bubble size of the foam compared to the estimated pore sizes of medium and fine *** the coarse sand results in a different situation due to its large pore *** distinctive characteristics of foam penetration in different sand strata are notably shaped by FER,PSD,and pore size *** insights shed light on the complex interactions during foam penetration at the tunnel face,contributing valuable knowledge to EPB shield tunnelling practices.

关键词： EPB Soil conditioning Foam penetration Permeability Tunnel face

Distributed generalized Nash equilibrium seeking:event-triggered coding-decoding-based secure communication

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Science china(Information Sciences) 2024年第7期67卷 271-284页

作者： Shaofu YANG wenying xu Wangli he Jinde CAO school of Computer Science and engineering Southeast University school of Mathematics Southeast University Key Laboratory of Advanced Control and Optimization for chemical Processes East China University of Science and Technology

In this paper, we consider the distributed generalized Nash equilibrium(GNE) seeking problem in strongly monotone games. The transmission among players is implemented through a digital communication network with limited bandwidth. For improving communication efficiency or/and security, an event-triggered coding-decoding-based communication is first proposed, where the data(decision variable) are first mapped to a series of finite-level codewords and, only when an event condition is satisfied, then sent to the neighboring agents. Moreover, a distributed communication-efficient GNE seeking algorithm is constructed accordingly,and the overrelaxation scheme is further taken into consideration. Through primal-dual analysis, the proposed algorithm is proven to converge to a variational GNE with fixed step-sizes by recasting it as an inexact forward-backward iteration. Finally, numerical simulations illustrate the benefit of the proposed algorithms in terms of saving communication resources.

关键词： noncooperative games event-triggered communication coding-decoding quantization

Synthesis,Structure and chemical Bonding of Polyantimony Clusters Containing Coinage Metals[M_(2)Sb_(14)]^(4-)(M=Cu,Ag)

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Chinese Journal of Chemistry 2024年第6期42卷 617-622页

作者： Wei-Xing Chen Yu-he xu Cui-Cui Wang Lei Qiao Zi-Yan Guo wen-Juan Tian Zhong-Ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin300350 China Institute of Molecular Science Shanxi UniversityTaiyuanShanxi030006 China

Binary polyantimony clusters,namely[Cu_(2)Sb_(14)]^(4–) and [Ag_(2)Sb_(14)]^(4–),containing coinage metals,were successfully synthesized and characterized,in which two homoatomic Sb73–subunits are bridged by two coinage metals in η^(4):η^(1) and η^(1):η^(1) coordination modes,***[M_(2)Sb_(14)]^(4-),two bridging Cu ions and two Sb atoms form a planar rhombic unit,which was revealed to have antiaromatic properties by theoretical *** electron structure and bonding analysis confirmed the presence of delocalized bonds in the rhombic unit and the metallophilic interaction between two formal M^(+) ions.

关键词： Polyantimony cluster Copper Silver Antiaromaticity Metallophilic interaction Quantum chemical calculations