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Incidence Coloring of Outer-1-planar Graphs

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Acta Mathematicae Applicatae Sinica 2024年第3期40卷 840-848页

作者： Meng-ke qi Xin ZHANG School of Mathematics and Statistics Xidian UniversityXi'an 710071China

A graph is outer-1-planar if it can be drawn in the plane so that all vertices lie on the outer-face and each edge crosses at most one another *** is known that every outer-1-planar graph is a planar *** this paper,we conjecture that every planar graph G has a proper incidence(Δ(G)+2)-coloring and confirm it for outer-1-planar graphs with maximum degree at least 8 or with girth at least ***,we prove that every outer-1-planar graph G has an incidence(Δ(G)+3,2)-coloring,and every outer-1-planar graph G with maximum degree at least 8 or with girth at least 4 has an incidence(Δ(G)+2,2)-coloring.

关键词： incidence coloring outer--planar graph planar graph

Strong Antiferromagnetic Exchange-Coupling Observed in Hydride-Bridged Dimeric Dysprosium(Ⅲ)Single-Molecule Magnet

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Chinese Journal of Chemistry 2024年第4期42卷 391-396页

作者： qian-Cheng Luo ke-Xin Yu Peng-Bo Jin Ye-Ye Liu Yuan-qi Zhai Yan-zhen zheng Frontier Institute of Science and Technology State Key Laboratory of Electrical Insulation and Power EquipmentXi'an Key Laboratory of Electronic Devices and Materials ChemistrySchool of Chemistry and School of PhysicsXi'an Jiaotong University99 Yanxiang RoadXi'anShaanxi710054 China

One dihydride-bridged dimeric Dy(Ⅲ)guanidinate complex,formulated as[{(Me_(3)Si)_(2)NC(NiPr)_(2)}_(2)Dy(μ-H)]_(2)(1Dy),was successfully isolated and the introduction of hydride bridges significantly reduces the intramolecular Dy(Ⅲ)…Dy(Ⅲ)distance to only 3.688(1)Å.To investigate the effect of such a short Dy(Ⅲ)…Dy(Ⅲ)distance on magnetism,we also prepared its dibromide-bridged analogue[{(Me_(3)Si)_(2)NC(NiPr)_(2)}_(2)Dy(μ-Br)]_(2)(2Dy),which has a much longer Dy(Ⅲ)…Dy(Ⅲ)distance of 4.605(4)Å.Surprisingly,2Dy demonstrates much larger effective energy barrier for magnetization reversal(U_(eff))and higher blocking temperature(T_(B)).The worse performance of 1Dy is attributed to the concerted effect of strong antiferromagnetic interactions between Dy(Ⅲ)ions(J_(total)=–2.683 cm^(–1))and the unparallel arrangement of magnetic principle axes of the Dy(Ⅲ)ions for 1Dy.

关键词： Single-molecule magnets Lanthanides Guanidinate ligand Hydride bridge Magnetic properties Ab initio calculations

A systematic COSMO-RS study on mutual solubility of ionic liquids and C6-hydrocarbons

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Green Chemical Engineering 2024年第1期5卷 97-107页

作者： Chuxin qi zhen Song Hongye Cheng Lifang Chen Zhiwen qi State key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China

When considering the usage of ionic liquids(ILs)for reactions and separations involving non-polar or weak-polar hydrocarbons,the knowledge of the mutual solubility behaviors of ILs and hydrocarbons is of the utmost *** this work,taking four typical C6-hydrocarbons namely benzene,cyclohexene,cyclohexane,and hexane as representatives,the mutual solubility of ILs and non-polar or weak-polar hydrocarbons are systematically studied based on the COSMO-RS *** reliability of COSMO-RS for these systems is first evaluated by comparing experimental and predicted hydrocarbon-in-IL activity coefficient at infinite dilution and binary/ternary liquid-liquid equilibria of related ***,the mutual solubility of the four hydrocarbons and13,650 ILs(composed by 210 cations and 65 anions)are *** effect of different IL structural characteristics including alkyl chain length,cation family/symmetry/functional group,and anion on the IL-hydrocarbon mutual solubility behaviors are further analyzed by the analyses of interaction energy and screen charge *** mutual solubility databases and the structural effects identified thereon could provide useful guidance for IL selection in related applications.

关键词： C6-hydrocarbons Ionic liquids Mutual solubility COSMO-RS Structural effect analysis

Molecular dynamics simulations in hydrogel research and its applications in energy utilization: A review

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Energy Reviews 2024年第3期3卷 15-29页

作者： Liangyu Li zhen Liu Ronghui qi key Laboratory of Enhanced Heat Transfer and Energy Conservation of Education Ministry School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou510640China

Hydrogels are soft,highly absorbent and water-retaining polymers that are widely used in energy *** dynamics(MD)simulation is powerful in exploring micro/nano mechanisms and can assist material regulation and experimental *** review summarizes recent MD simulations on the composition and structure characteristics of physically and chemically crosslinked hydrogels,focusing on the functionalities such as mechanical properties,heat transfer performance,hygroscopic properties and photocatalytic applications required in the energy conversion *** fundamentals of MD simulations are also introduced,along with common modeling procedures for *** review showed that MD simulations can visually display molecular-scale changes during cross-linking and absorption processes,thereby predicting changes in intermolecular interactions and associated microstructural *** for future research include constructing hydrogel networks that can be experimentally verified,and developing appropriate molecular force fields under various operating *** quantum mechanics or coarse-graining methods in MD simulations further broaden its application into electronic or mesoscopic *** with machine learning,finite element or lattice Boltzmann methods may be also promising as it can be used to reveal the influence of 3D pores within *** study aims to promote the use of MD simulations in exploring characteristics and mechanisms of hydrogel and other polymer materials in energy utilization.

关键词： Hydrogel Functionality Energy conversion Molecular dynamics simulation Network structure Intermolecular interaction

Open-vessel Synthesis of Poly-N-methoxyethylglycine

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Chemical Research in Chinese Universities 2024年第1期40卷 153-158页

作者： LIU Guojan MA ke CHEN qi ZHANG Donghui LIU Runhui State key Laboratory of Bioreactor Engineering East China University of Science and TechnologyShanghai200237P.R.China key Laboratory for Ultrafine Materials of Ministry of Education Frontiers Science Center for Materiobiology and Dynamic ChemistryShanghai Frontiers Science Center of Optogenetic Techniques for Cell MetabolismResearch Center for Biomedical Materials of Ministry of EducationSchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237P.R.China School of Biotechnology East China University of Science and TechnologyShanghai200237P.R.China

Polypeptoids are widely used in biological applications owing to their diverse functions and proteolytic *** type of polypeptoids,poly-N-methoxyethylglycine(P-Nmeg),has been found to possess remarkable hydrophilicity and notable properties in terms of protein,cell,and bacterial ***,the currently known synthesis methods of P-Nmeg include solid-phase synthesis,which is time-consuming and difficult to scale up,and N-substituted N-carboxyanhydride(NNCA)ring-opening polymerization,whose monomers were difficult to *** this study,we used the chemical stable Nmeg N-phenoxycarbonyl(NPC)as the monomer,which was obtained without the use of highly toxic reactants,such as phosgene or phosphorus halide,to synthesize P-Nmeg under open-vessel *** adding BnNH_(2) as an initiator at 80℃,we can obtain controllable short chain length P-Nmeg with narrow dispersity.

关键词： Open-vessel Polypeptoid synthesis Poly-N-methoxyethylglycine Stable monomer Narrow dispersity

A Novel Approach for Trajectory Tracking Control of an Under-Actuated Quad-Rotor UAV

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IEEE/CAA Journal of Automatica Sinica 2024年第9期11卷 2030-2032页

作者： ke Shao Kang Huang Shengchao zhen Hao Sun Rongrong Yu School of Civil Aviation Northwestern Polytechnical UniversityXi’an 710072 School of Mechanical Engineering Hefei University of TechnologyHefei 230009China

Dear Editor,This letter presents a novel Udwadia-Kalaba(U-K)approach for the trajectory tracking control of a quad-rotor unmanned aerial vehicle(UAV).Compared to conventional control approaches,the desired trajectorie... 详细信息

关键词： letter desired constraints

Anti-explosion performance and dynamic response of an innovative multi-layer composite explosion containment vessel

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Defence Technology（防务技术） 2024年第6期36卷 105-121页

作者： zhen Wang Heng Chen qi Yuan Wenbin Gu Xingbo Xie Hongwei Li College of Field Engineering Army Engineering University of PLANanjing 210007China College of Civil Engineering and Architecture Southwest University of Science and TechnologySichuanMianyang 621010China

An innovative multi-layer composite explosion containment vessel(CECV)utilizing a sliding steel platealuminum honeycomb-fiber cloth sandwich is put forward to improve the anti-explosion capacity of a conventional single-layer explosion containment vessel(SECV).Firstly,a series of experiments and finite element(FE)simulations of internal explosions are implemented to understand the basic anti-explosion characteristics of a SECV and the rationality of the computational models and methods is verified by the comparison between the experimental results and simulation *** on this,the CECV is designed in detail and a variety of FE simulations are carried out to investigate effects of the sandwich structure,the explosive quantity and the laying mode of the fiber cloth on anti-explosion performance and dynamic response of the CECV under internal *** results indicate that the end cover is the critical position for both the SECV and *** maximum pressure of the explosion shock wave and the maximum strain of the CECV can be extremely declined compared to those of the *** a result,the explosive quantity the CECV can sustain is up to 20 times of that the SECV can ***,as the explosive quantity increases,the internal pressure of the CECV keeps growing and the plastic deformation and failure of the sandwich structure become more and more severe,yielding plastic strain of the CECV in addition to elastic *** results also reveal that the laying angles of the fiber cloth's five layers have an impact on the anti-explosion performance of the *** example,the CECV with fiber cloth layered in 0°/45°/90°/45°/0°mode has the optimal anti-capacity,compared to 0°/0°/0°/0°/0°and 0°/30°/60°/30°/0°***,owing to remarkable anti-explosion capacity,this CECV can be regarded as a promising candidate for explosion resistance.

关键词： Explosive container Honeycomb-fiber cloth Anti-explosion Aluminum honeycomb core Composite

Progress and challenges of electrolyte modulation in aqueous zinc-ion batteries

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Rare Metals 2024年第7期43卷 2940-2967页

作者： qi-Hang Yang Lu-Fei Wang Xiao-Yu Wang Meng-Meng zhen Tianjin key Laboratory of Clean Energy and Pollution Control School of Energy and Environmental EngineeringHebei University of TechnologyTianjin 300071China

As a new type of green battery system,aqueous zinc-ion batteries(AZIBs)have gradually become a research hotspot due to their low cost,high safety,excellent stability,high theoretical capacity(820 mAh·g^(-1))of zinc anode,and low redox potential(-0.76 V *** hydrogen electrode(SHE)).AZIBs have been expected to be an alternative to lithium-ion batteries for large-scale commercial energy storage ***,they are facing thorny issues such as degradation of cycling performance,zinc dendrites,and side *** the same time,these problems cause short cycling life of batteries,thus severely limiting their commercial *** recent years,many more researches have been conducted on the modification of anode and cathode materials of AZIBs,but there is a lack of in-depth discussion on the characteristics and mechanism of electrolyte *** this review,we will make a systematic summary of the current problems with two electrodes in AZIBs,as well as the types and functions of electrolyte ***,we further systematically describe the modulation mechanism of electrolyte additives in the performance of the cathode and *** prospects and development directions of additive modulation strategies for AZIBs electrolytes are prospected.

关键词： Electrolyte additives Aqueous zinc-ion batteries Zinc anode protection Cathode chemistry

Antibonding orbital tailor and stress relief engineering for FeS2 complex toward superior sodium storage

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Rare Metals 2024年第10期43卷 5048-5059页

作者： You-Bin Zhang zhen-Guo qi Fu-Sheng Liu Guo-Hui qin State key Laboratory Base for Eco-Chemical Engineering College of Chemical EngineeringQingdao University of Science and Technology Shandong Synergetic Innovation Center of Ecological and Chemical Engineering

The sluggish kinetics behaviors and vast volume variations of Na+hosts to FeS2anode involved intercalation,and conversion reactions plague its applicability of sodium-ion batteries （SIBs）.Here,a significantly expedited kinetics via cation intercalation and considerably relieved stress accumulation by constructing the concave scaffold protector are approached for *** Mn2+intercalation into FeS2,a new stable Mn–FeS2was generated with distorted coordination;elevated antibonding orbital occupancy and lowed d band center to the release of more free Na+were achieved,which was further encapsulated by hollow bowl-like carbon spheres （BC）This cation intercalation and concave morphology strategies confer Mn–FeS2@BC significantly enhanced electron ion transport kinetics via reversed electron transfer to FeS2fast desolvation kinetics,and evidently depressed structural deformation during Na+insertion and ***,Mn–FeS2@BC delivers the longevity and stable Na+storage capacity in both half and full cell ***,Mn–FeS2@BC also displays excellen adaptability in a wider temperature *** work proposes new views into the deep regulation of electrochemical performance of transition metal anodes via intercalation chemistry and concave engineering.

关键词： Concave engineering FeS2 Intercalation chemistry Sodium capture