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Study on the low mechanical anisotropy of extruded Mg-Zn-Mn-Ce-Ca alloy tube in the compression process

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Journal of Magnesium and Alloys 2024年第3期12卷 1054-1067页

作者： Dandan Li Qichi Le Xiong Zhou Xiaoqiang Li Chenglu Hu Ruizhen Guo Tong Wang Ping Wang Wenxin Hu The key {1. of Electromagnetic Processing of materials Ministry of EducationNortheastern UniversityShenyang 110819China state {1. laboratory of Baiyunobo rare earth Resource Research and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030China

In this study,the extruded Mg-Zn-Mn-Ce-Ca alloy tube with a low compression anisotropy along the ED,45ED and TD was *** effect of the second phases,initial texture and deformation behavior on this low mechanical anisotropy was *** results revealed that the alloy tube contains the high content(Mg1.xZnx)1.Ce phase and the low content of Mg1.Ce *** second phases are respectively incoherent and coherent with the Mg matrix,and their influence can be ***,the alloy tube exhibited a weak basal fiber texture,where the c-axis was aligned along the 0°∼30°tilt from TD to *** a texture made the initial deformation(at 1.0%∼1.6%strain)of the three samples controlled by comparable basal*** deformation progressed(1.6∼9.0%strain),larger amounts of ETWs nucleated and gradually approached saturation in the three samples,re-orienting the c-axis to a 0°∼±30°deviation with respect to the loading ***,the prismatic and pyramidalslips replaced the dominant deformation progressively until ***,the similar deformation mechanisms determined by the weak initial texture in the three samples contribute to the comparable strain hardening rates,resulting in the low compressive anisotropy of the alloy tube.

关键词： Mg alloy tube Low mechanical anisotropy Weak texture Deformation mechanism.

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 {1. 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_(1.)^(4-)included in[As_(1.)MO_(2)(CO)_(8)]^(4-)is regarded as formed by two realgar-type As_(8)subunits connected by a dinuclear AsAs *** As_(1.)cluster was previously predicted by theory,and this is the first time successfully synthesized using wet {1. ***,small-sized polyarsenides As_(2)^(2-)and As_(1.)^(2-)were found in compound[K(1.-crown-6)]_(3)[As_(1.)]_(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

Li-air batteries:air stability of lithium metal anodes

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Science China chemistry 2024年第1期67卷 122-136页

作者： Renfei Cao Kai Chen Jianwei Liu Gang Huang Wanqiang Liu Xinbo Zhang School of materials Science and Engineering Changchun University of Science and TechnologyChangchun 130022China state {1. laboratory of rare earth Resource Utilization Changchun Institute of Applied ChemistryChangchun 130022China

Aprotic rechargeable lithium-air batteries(LABs)with an ultrahigh theoretical energy density(3,500 Wh kg^(-1.)are known as the‘holy grail’of energy storage systems and could replace Li-ion batteries as the next-generation high-capacity batteries if a practical device could be ***,only a few researches focus on the battery performance and reactions in the ambient air environment,which is a major obstacle to promote the practical application of ***,we have summarized the recent research progress on LABs,especially with respect to the Li metal *** chemical and electrochemical deteriorations of the Li metal anode under the ambient air are discussed in detail,and the parasitic reactions involving the cathode and electrolyte during the charge-discharge processes are *** also provide stability perspectives on protecting the Li metal anodes and propose design principles for realizing high-performance LABs.

关键词： parasitic reaction lithium metal anode anode protection Li-air batteries

Circularly polarized luminescence switch based on a photochromic europium(Ⅲ) helicate derived coordination polymer

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Chinese Chemical Letters 2024年第2期35卷 272-277页

作者： Mei Li Yanyan Zhou Jingya Li Wenru Huang Zhiwei Yao Yuying Li Ting Gao Pengfei Yan Hongfeng Li key {1. of Functional Inorganic Material chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China state {1. laboratory of Baiyunobo rare earth Resource Researches and Comprehensive Utilization Institution Baotou 014030China

Chiroptical switches based on circularly polarized luminescence(CPL)have shown the promising applications in advanced information ***,a pair of lanthanide coordination polymer enantiomers[Eu_(2)(L^(R))_(3)(BTFPO)_(2)]_(n) and[Eu_(2)(L^(S))_(3)(BTFPO)_(2)]_(n) with light-regulated CPL property are designed,which are assembled by a chiral binuclear triple-stranded Eu^(3+) helicates[Eu_(2)(L^(R/S))_(3)]coordinated with two photochromic triphenylphosphine oxides(BTFPO).Upon the alternative UV and 526 nm light irradiation,the complexes show the reversible photochromism,PL and CPL ***,the luminescence dissymmetry factor,g lum of ^(5)D_(0)→^(7)F_(1.(591.nm)transition shows an obvious increase from 0.1. to 0.29 before and after 275 nm light ***,the emission from Eu^(3+) center is not completely quenched in closed-ring {1. due to the low photocyclization(Ф_(o-c))quantum yield of the *** partial maintenance of emissive intensity is of essential importance for the monitor of CPL *** importantly,the CPL photo-switching property of the complexes in solid hybrid film is maintained,and still displays the enhanced CPL emission in photostationary ***,the potential applications of the doping film in logic gate and anti-counterfeiting were investigated.

关键词： Chiroptical switches Coordination polymer CPL Anti-counterfeiting Logic gate

Pillar effect induced by ultrahigh phosphorous/nitrogen doping enables graphene/MXene film with excellent cycling stability for alkali metal ion storage

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Journal of Energy chemistry 2024年第6期93卷 146-156,I0004页

作者： Meng Qin Yiwei Yao Junjie Mao Chi Chen Kai Zhu Guiling Wang Dianxue Cao Jun Yan key {1. of Superlight materials and Surface Technology Ministry of EducationCollege of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001HeilongjiangChina Xiamen key {1. of rare earth Photoelectric Functional materials and Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen 361021FujianChina

Graphene's large theoretical surface area and high conductivity make it an attractive anode material for potassium-ion batteries(PIBs).However,its practical application is hindered by small interlayer distance and long ion transfer ***,this paper aims to address the issue by introducing MXene through a simple and scalable method for assembling graphene and realizing ultrahigh P doping *** findings reveal that MXene and P-C bonds have a "pillar effect" on the structure of graphene,and the P-C bond plays a primary *** addition,N/P co-doping introduces abundant defects,providing more active sites for K^(+) storage and facilitating K^(+) *** expected,the developed ultrahigh phosphorous/nitrogen co-doped flexible reduced graphene oxide/MXene(NPrGM) electrode exhibits remarkable reversible discharge capacity(554 mA hg^(-1. at 0.05 A g^(-1.),impressive rate capability(1.8 mA h g^(-1. at 2 A g^(-1.),and robust cyclic stability(0.0005% decay per cycle after 1.,000 cycles at 2 A g^(-1.).Furthermore,the assembled activated carbon‖NPrGM potassium-ion hybrid capacitor(PIHC) can deliver an impressive energy density of 1.1.W h kg^(-1. and stable cycling performance with 98.1. capacitance retention after5000 cycles at 1.A g^(-1..Such a new strategy will effectively promote the practical application of graphene materials in PIBs/PIHCs and open new avenues for the scalable development of flexible films based on two-dimensional materials for potential applications in energy storage,thermal interface,and electromagnetic shielding.

关键词： Graphene MXene Phosphorous doping Pillar effect Potassium-ion batteries

A DFT study on Pt single atom loaded COF for efficient photocatalytic CO_(2)reduction

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Journal of materials Science & Technology 2024年第3期170卷 87-94页

作者： Fei Xie Chuanbiao Bie Jian Sun Zhenyi Zhang Bicheng Zhu laboratory of Solar Fuel Faculty of Materials Science and ChemistryChina University of GeosciencesWuhan430078China key {1. of New Energy and rare earth Resource Utilization of state Ethnic Affairs Commission Key Laboratory of Photosensitive Materials and Devices of Liaoning ProvinceSchool of Physics and Materials EngineeringDalian Minzu UniversityDalian116600China

Photocatalytic CO_(2)reduction provides a promising strategy for the alleviation of greenhouse effect and energy shortage *** single atom modification is an effective method to improve the CO_(2)reduction performance of covalent organic framework(COF)photocatalysts,while the intrinsic mechanism is not revealed in ***,a Pt-COF photocatalytic system was constructed by embedding Pt single atom in TFPT-TMT-COF(TFPT:1.3,5-tris(4-formylphenyl)-triazine,TMT:2,4,6-trimethyl-1.3,5-triazine).Based on density functional theory(DFT)calculation,the geometric structure and electronic property of Pt-COF were investigated,and the CO_(2)adsorption and reduction reaction process on Pt-COF were *** results show that the Pt atom can be steadily anchored in COF via the formation of Pt-N and Pt-C ***,there is strong electronic interaction between Pt and *** incorporation of Pt atom benefits the CO_(2)reduction activity of COF from multiple aspects:(ⅰ)reducing the band gap and improving light absorption;(ⅱ)enhancing CO_(2)adsorption and activating the CO_(2)molecule;(ⅲ)decreasing the energy barrier in the hydrogenation step of CO_(2)→COOH,thus facilitating CO_(2)conversion to CO;(ⅳ)inhibiting the hydrogenation of CO,thereby increasing the selectivity of *** work brings a novel insight into the excellent CO_(2)reduction performance of Pt modified COF,and provides useful references for the design of single atom photocatalysts.

关键词： Photocatalysis Carbon dioxide reduction Covalent organic framework Pt single atom Theoretical calculation

Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe1.]1.+ Core

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National Science Review 2024年第4期11卷 123-129页

作者： Gan Xu Yun-Shu Cui Xue-Lian Jiang Cong-Qiao Xu Jun Li Xu-Dong Chen Jiangsu Collaborative Innovation Center of Biomedical Functional materials and Jiangsu {1. laboratory of New Power Batteries School of Chemistry and Materials Science Nanjing Normal University Department of chemistry and Guangdong Provincial {1. laboratory of Catalytic chemistry Southern University of Science and Technology Department of chemistry and Engineering Research Center of Advanced {1.-earth materials of Ministry of Education Tsinghua University state {1. laboratory of Coordination chemistry Nanjing University

Iron-metal clusters are crucial in a variety of critical biological and material systems,including metalloenzymes,catalysts,and magnetic storage ***,a synthetic high-nuclear iron cluster has been absent due to the extreme difficulty in stabilizing species with direct iron-iron *** this work,we have synthesized,crystallized,and characterized a（Tp*）4W4S1.(Fe@Fe1.) cluster(Tp*=tris（3,5-dimethyl-1.pyrazolyl）borate（1.）),which features a rare trideca-nuclear,icosahedral[Fe@Fe1.] cluster core with direct multicenter iron-iron bonding between the interstitial iron（Fei） and peripheral irons（Fep）,as well as Fep…Fepferromagnetic *** {1. studies reveal that the stability of the cluster arises from the 1.-electron shell-closing of the [Fe@Fe1.]1.+core,assisted by its bonding interactions with the peripheral tridentate [（Tp*）WS3]4-ligands which possess both S→Fe donation and spin-polarized Fe-Wσ *** ground-state electron spin is theoretically predicted to be S=32/2 for the *** existence of low oxidation-state（OS～+1.23） iron in this compound may find interesting applications in magnetic storage,spintronics,redox {1.,and cluster catalysis.

关键词： Fe1. cluster iron-sulfur cluster low-valence iron iron−iron bond high spin complex

A universal strategy of multi-objective active learning to accelerate the discovery of organic electrode molecules

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Science China chemistry 2024年第11期67卷 3681-3687页

作者： Jiayi Du Jun Guo Wei Liu Ziwei Li Gang Huang Xinbo Zhang state {1. laboratory of rare earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences School of Applied chemistry and Engineering University of Science and Technology of China School of materials Science and Engineering Changchun University of Science and Technology

Organic electrode molecules hold significant potential as the next generation of cathode materials for Li-ion batteries. In this study, we have introduced a multi-objective active learning framework that leverages Bayesian optimization and non-dominated sorting genetic algorithms-Ⅱ. This framework enables the selection of organic molecules characterized by high theoretical energy density and low gap(LUMO-HOMO)(LUMO, lowest unoccupied molecular orbital; HOMO, highest occupied molecular orbital). Remarkably, after only two cycles of active learning, the determination of coefficient can reach 0.962 for theoretical energy density and 0.920 for the gap with a modest dataset of 300 molecules, showcasing superior predictive capabilities. The 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1.4-dione, selected by non-dominated sorting genetic algorithms-Ⅱ, has been successfully applied to Li-ion batteries as cathode materials, demonstrating a high capacity of 288 m Ah g-1.nd a long cycle life of 1.000 cycles. This outcome underscores the high reliability of our framework. Furthermore, we have also validated the universality and transferability of our framework by applying it to two additional databases, the QM9 and OMEAD. When the training dataset of the model includes at least 500 molecules, the determination of coefficient essentially reaches approximately0.900 for four targets: gap, reduction potential, LUMO, and HOMO. Therefore, the universal framework in our work provides innovative insights applicable to other domains to expedite the screening process for target materials.

关键词： organic electrode molecules Li-ion batteries active learning multi-objective Bayesian optimization

Translucent ceramic enabling next-generation lasing-driven near-infrared light source

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Science China materials 2024年第4期67卷 1359-1360页

作者： Hongjie Zhang Engineering Research Center of Advanced rare {1. materials(Ministry of Education) Department of ChemistryTsinghua UniversityBeijing 100084China state {1. laboratory of rare earth Resource Utilization Changchun Institute of Applied Chemistry(CIAC)Chinese Academy of Sciences(CAS)Changchun 130022China

Broadband near-infrared(NIR) light sources demonstrate great potential in quantitative food analysis, material identification,invasive brain imaging diagnosis, and real-time health monitoring fields, etc. [1.3]. Compared with competing technologies based on quantum dots and organic crystals, NIR-emitting phosphor converted light-emitting diodes(pc-LEDs) favor high spectral modulation and physicochemical stability [4].

关键词： light ceramic lasing