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Electronic band structures of topological kagome materials

Chinese Physics B 2025年第1期34卷 29-44页

作者： Man Li Huan Ma Rui Lou Shancai Wang School of Information Network Security People’s Public Security University of ChinaBeijing 100038China Department of Physics Key Laboratory of Quantum State Construction and Manipulation(Ministry of Education)and Beijing Key Laboratory of Opto-electronic Functional Materials&Micronano DevicesRenmin University of ChinaBeijing 100872China Leibniz Institute for Solid State and materials Research IFW Dresden01069 DresdenGermany Helmholtz-Zentrum Berlin fur Materialien und Energie Albert-Einstein-Strabe 1512489 BerlinGermany Joint laboratory“functional Quantum materials”at BESSY II 12489 BerlinGermany

The kagome lattice has garnered significant attention due to its ability to host quantum spin Fermi liquid ***,the combination of unique lattice geometry,electron–electron correlations,and adjustable magnetism in solid kagome materials has led to the discovery of numerous fascinating quantum *** include unconventional superconductivity,charge and spin density waves(CDW/SDW),pair density waves(PDW),and Chern insulator *** emergent states are closely associated with the distinctive characteristics of the kagome lattice's electronic structure,such as van Hove singularities,Dirac fermions,and flat bands,which can exhibit exotic quasi-particle excitations under different symmetries and magnetic ***,various quantum kagome materials have been developed,typically consisting of kagome layers stacked along the z-axis with atoms either filling the geometric centers of the kagome lattice or embedded between the *** this topical review,we begin by introducing the fundamental properties of several kagome *** gain an in-depth understanding of the relationship between topology and correlation,we then discuss the complex phenomena observed in these *** include the simplest kagome metal T_(3)X,kagome intercalation metal T X,and the ternary compounds AT_(6)X_(6)and RT_(3)X_(5)(A=Li,Mg,Ca,or rare earth;T=V,Cr,Mn,Fe,Co,Ni;X=Sn,Ge;R=K,Rb,Cs).Finally,we provide a perspective on future experimental work in this field.

关键词： kagome lattice quasi-particle excitation electronic correlation magnetism

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Exploratory growth and characterization of CaNdAl_(3)O_(7) single crystal with nonsymmetric structure in tetragonal family

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Journal of Rare Earths 2025年第1期43卷 153-161,I0006页

作者： Xiangkang Peng Fapeng Yu State key laboratory of Crystal materials Institute of Crystal MaterialsShandong UniversityJinan250100China

The new component of melilite type crystal CaNdAl_(3)O_(7)(CNA)was grown by the Czochralski pulling *** crystal structure analysis was *** is found that the CNA crystal belongs to the tetragonal system with P-421m space *** cell parameters a=b=0.77461 nm and c=0.51089 *** density and Mohs hardness of CNA crystal are 4.08 g/cm^(3) and 5.45,*** specific heat of the crystal is 0.57-0.77 J/(g·K)in the temperature range of 30-300℃.X-ray photoelectron spectro scopy(XPS)shows that the crystal has stable atomic valence states and chemical *** vibration state of polyhedra groups in the crystal was measured by Raman spectra,and the piezoelectric response was analyzed based on the calculated results for the polyhedra polarization dipole *** relative dielectric permittivity of the CNA crystal at room temperature was determined to be 11.80 and the electrical resistivity was measured to be on the order of 5×10^(6)Ω·cm at 800℃.

关键词： Piezoelectric Melilite Crystal growth High-temperature Czochralski Rareearths

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Construction of an artificial zinc alloy layer toward stable zinc-metal anode

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Green Energy & Environment 2025年第2期10卷 382-389页

作者： Long Jiang Yizhao Chai Dongdong Ji Liwei Li Le Li Bingan Lu Dongmin Li Jiang Zhou State key laboratory of Oil and Gas Equipment CNPC Tubular Goods Research InstituteXi'anShaanxi710077China School of materials Science and Engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan ProvinceCentral South UniversityChangsha410083China School of Physics and Electronics Hunan UniversityChangsha410082China

Aqueous zinc-ion batteries(AZIBs)present a promising option for next-generation batteries given their high safety,eco-friendliness,and resource ***,the practical application of zinc anodes is hindered by inevitable parasitic reactions and dendrite ***,zinc alloy layers(i.e.,ZnCo and ZnFe alloys)were rationally constructed on the zinc surface by chemical displacement *** alloying process exposes more(002)planes of the ZnCo anode to guide the preferential and dendrite-free zinc ***,the ZnCo alloy layer not only effectively inhibits water-induced side reactions but also accelerates electrode kinetics,enabling highly reversible zinc plating/*** a result,the ZnCo anode achieves a Coulombic efficiency of 99.2%over 1300 cycles,and the ZnCo symmetric cell exhibits a long cycle life of over 2000 h at 4.4 mA cm^(-2).Importantly,the ZnCo//NH_(4)V_(4)O_(10)full cell retains a high discharge capacity of 218.4 mAh g^(-1)after 800 ***,the ZnFe-based symmetric cell also displays excellent cycling stability over 2500 h at 1.77 mA cm^(-2).This strategy provides a facile anode modification approach toward high-performance AZIBs.

关键词： Zinc metal anode Zinc alloys Chemical displacement Aqueous zinc-ion batteries

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Bio-based Epoxy Composites Demonstrating High Temperature Breakdown Strength and Thermal Conductivity for High Voltage Insulation

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高分子科学（英文版） 2025年第1期43卷 40-52页

作者： Ke-Rong Yang Jin-Yue Dai Shuai-Peng Wang Wei-Wei Zhao Xiao-Qing Liu key laboratory of Advanced Marine materials Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China

The demand for energy-efficient and environmental-friendly power grid construction has made the exploitation of bio-based electri-cal epoxy resins with excellent properties increasingly *** work developed the bio-based electrotechnical epoxy resins based on ***-performance epoxy resin(DGEMT)with a double crosslinked points and its composites(Al2O3/DGEMT)were obtained taking ad-vantages of the two bifunctional groups(allyl and phenolic hydroxyl groups)of *** from the distinctive structure of DGEMT,the AO3/DGEMT composites exhibited the advantages of intrinsically high thermal conductivity,high insulation,and low dielectric *** AC breakdown strength and thermal conductivity of Al2O3/DGEMT composites were 35.5 kV/mm and 1.19 W·m-1·K-1,respectively,which were 15.6％and 52.6％higher than those of petroleum-based composites(Al2O3/DGEBA).And its dielectric loss tanδ=0.0046 was 20.7％lower than that of Al2O3/***,the mechanical,thermal and processing properties of Al2O3/DGEMT are fully comparable to those of Al2O3/*** work confirms the feasibility of manufacturing environmentally friendly power equipment using bio-based epoxy resins,which has excellent engineering applications.

关键词： Bio-based epoxy composites Magnolol Breakdown strength Thermal conductivity Dielectric loss

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Effect of surface species on the alcohol-acid adsorption from FTS wastewater on graphene:A structure-capacity study

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Journal of Environmental Sciences 2025年第3期149卷 651-662页

作者： Xiao Liu Xiaolong Zhang Chunyu Geng Qinglan Hao Jie Chang Xin Hu Yongwang Li Botao Teng Tianjin key laboratory of Brine Chemical Engineering and Resource Eco-utilization College of Chemical Engineering and Materials ScienceTianjin University of Science and TechnologyTianjin 300457China State key laboratory of Medicinal Chemical Biology Key Laboratory of Functional Polymer MaterialsCollege of ChemistryNankai UniversityTianjin 300071China National Energy Center for Coal to Liquids Synfuels China Co.Ltd.Beijing 101407China Institute of Sustainability of Chemical Energy and EnvironmentAgency for ScienceTechnology and Research627833Singapore key laboratory of the Ministry of Education for Advanced Catalysis materials Zhejiang Normal UniversityJinhua 321004China

Fischer-Tropsch synthesis(FTS)wastewater retaining low-carbon alcohols and acids are organic pollutants as a limiting factor for FTS *** this work,the structurecapacity relationships between alcohol-acid adsorption and surface species on graphene were reported,shedding light into their intricate *** graphene oxide(GO)and reduced graphene oxide(rGO)were synthesized via improved Hummers method with flake graphite(G).The physicochemical properties of samples were characterized via SEM,XRD,XPS,FT-IR,and *** alcohol-acid adsorption behaviors and adsorption quantities on G,GO,and rGO weremeasured via theoretical and *** was revealed that the presence of COOH,C=O and C–O species on graphene occupy the adsorption sites and increase the interactions of water with graphene,which are unfavorable for alcoholacid *** equilibrium adsorption quantities of alcohols and acids grow in pace with carbon *** monolayer adsorption occurs on graphene was verified viamodel *** has the highest FTS modeling wastewater adsorption quantity(110 mg/g)due to the reduction of oxygen *** novel findings provide a foundation for the alcoholacid wastewater treatment,as well as the design and development of high-performance carbon-based adsorbent materials.

关键词： Alcohol-acid adsorption Fischer-Tropsch synthesis wastewater Graphene Surface species Density functional theory

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Imidazolium-based ionic polymers for fast and efficient anion-exchange driven capture of Cr2O72-

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Science China Chemistry 2025年

作者： Yishou Wang Xiaonan Yuan Xingxing Gou Xiatian Song Xiaogang Wang Ling Guo Yanfeng Liu Chengfang Qiao Chunsheng Zhou Yingfeng Han Shaanxi key laboratory of Comprehensive Utilization of Tailings Resources Shaanxi Engineering Research Center for Mineral Resources Clean & Efficient Conversion and New Materials College of Chemical Engineering and Modern Materials Shangluo University key laboratory of Synthetic and Natural functional Molecule Chemistry of the Ministry of Education Xi'an Key Laboratory of Functional Supramolecular Structure and Materials College of Chemistry and Materials Science Northwest University

The pervasive issue of chromium（VI） contamination,particularly in dichromate (Cr2O2-7),resulting from unchecked industrial growth and inadequate waste management,remains a pressing concern that demands immediate and dedicated ***,we present two novel imidazolium-based ionic polymers （ImIPs）.The ImIPs boast a highly cationic structure rich in bromide（Br-） ions and exhibit remarkable porosity,facilitating the easy exchange of these ions for chromate (Cr2O2-7) through anion *** unique combination leads to exceptional performance,including a high adsorption capacity （423 mg/g）,rapid adsorption rate (75 mg g-1min-1),and a broad operational pH range （2–12）.Moreover,our material demonstrates remarkable reusability,maintaining its efficacy even after 10 cycles without significant loss of *** mechanistic studies underscore the role of ion-exchange chemistry in effectively removing dichromate by the presented ImIPs,providing strong evidence for their suitability as a robust solution to address the ongoing challenges in water *** findings represent a crucial step in developing advanced materials for tackling chromium（VI） pollution.

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Highly N2 dissociation catalyst:Ir（100） and Ir（110） surfaces

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Chinese Chemical Letters 2025年第03期 554-559页

作者： Chaozheng He Menghui Xi Chenxu Zhao Ran Wang Ling Fu Jinrong Huo Institute of Environmental and Energy Catalysis Shaanxi Key Laboratory of Optoelectronic Functional Materials and Devices School of Materials Science and Chemical Engineering Xi'an Technological University College of Resources and Environmental Engineering Tianshui Normal University School of Sciences Xi'an Technological University

Density functional theory （DFT） was performed to systematically study the adsorption and dissociation of N2on Ir（100） and Ir（110） *** analyzing the properties,including adsorption energies,reaction barriers,and optimal adsorption sites,the hollow （H） sites were finally identified as favorable dissociation sites for *** dissociation barriers of N2are 0.87 e V on Ir（100） and 1.12 e V on Ir（110）,which can be overcome at around 348 and 448 K,***,Ir（100） is screened as a promising catalyst for N2dissociation compared to Ir（110）.This can be attributed to the significantly higher adsorption energy of N2on the H site of Ir（100）(-0.48 e V) compared to that on Ir（110）(-0.22 e V),leading to different dissociation mechanisms on Ir（100） and Ir（110）.Ir（100） can dissociate N2directly on H site and Ir（110）should firstly capture N2via bridge site and further transfer the adsorbed N2to the H site,which will dramatically deteriorate the reactivity of *** addition,the following protonation processes of dissociated*N atoms are all exothermal at 348 K on Ir（100）,indicating that the ammonia synthesis can occur spontaneously as the temperature higher than 348 *** results have provided a reasonable materials design scheme for subsequent ammonia synthesis.

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Probing the special angle in twisted bilayer MoS_(2)via angle-dependent scanning tunneling microscopy studies

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Science China(Physics,Mechanics & Astronomy) 2025年第2期68卷 153-160页

作者： Xueying Liu Shiying Liu Yulong Xiao Chang Xu Jiaxin Wu Kaihui Li Si-Yu Li Anlian Pan key laboratory for Micro-Nano Physics and Technology of Hunan Province Hunan Institute of Optoelectronic Integration and College of Materials Science and EngineeringHunan UniversityChangsha410082China School of Physics and Electronics Hunan Normal UniversityChangsha410081China

Twisted transition metal dichalcogenides(TMDs)homo-bilayers host unique quantum properties,which can be tuned by interlayer twist angleθ.However,the systematic evolution of their typical electronic properties with respect to the twist angleθ,which is crucial for identifying the“special angle”analogous to the“magic angle”of twisted bilayer graphene in correlation physics studies,remains incompletely ***,via scanning tunneling microscopy(STM)and spectroscopy(STS),we investigate the variation of the moirépotential,flat band,and layer polarization characteristics across a wide range of twist angleθin twisted bilayer MoS_(2)(TB-MoS_(2)).The moirépotential of the valence band exhibits a non-monotonic variation withθ,peaking at a maximum value up to 204 me Vatθ~1.7°.Concurrently,at the sameθ,the bandwidth of the flat band at theΓ_(V)point of the valence band attains its minimum,precisely signifying the“special angle”θ_(c)~1.7°in TB-MoS_(2).Interestingly,layer polarization in the moirésuperlattice is spatially visualized through the distribution of local density of states(LDOS)at the energies of bothΓ_(V)and K_(V)points of the valence band,where the polarization degree at theΓ_(V)point demonstrates a close dependency onθ.Our findings deepen understanding of twist-angle effect in TMDs,advancing both fundamental physics and practical application.

关键词： twisted bilayer MoS_(2) flat band moirépotential twist-angle dependence scanning tunneling microscopy

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Plastic deformation mechanism of γ-phase U–Mo alloy studied by molecular dynamics simulations

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Chinese Physics B 2025年第1期34卷 468-475页

作者： Chang Wang Peng Peng Wen-Sheng Lai key laboratory of Advanced materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}slip system is preferentially activated, while in the {112} system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.

关键词： U-Mo alloy molecular dynamics simulation plastic deformation mechanism dislocation slip twin formation

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Rapid and high-resolution 3D printing via photoacid generator induced cationic RAFT polymerization

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Science China Chemistry 2025年

作者： Bowen Zhao Jiajia Li Chongyang Yang Xiangqiang Pan Zhengbiao Zhang Jian Zhu State Local Joint Engineering laboratory for Novel functional Polymeric materials Jiangsu Key Laboratory of Advanced Functional Polymer Design and Application Suzhou Key Laboratory of Macromolecular Design and Precision Synthesis Department of Polymer Science and Engineering College of Chemistry Chemical Engineering and Materials Science Soochow University

Vinyl ethers,while being typical monomers for living cationic polymerization,have limited commercial use due to the poor mechanical properties of their polymers at room *** explored the use of photoacid generators to induce cationic reversible addition-fragmentation chain transfer （RAFT） polymerization for the rapid high-resolution three-dimensional （3D）printing of various vinyl *** process demonstrated controlled molecular weights and narrow molecular weight distributions （MWD）,with monomer conversions exceeding 90%in *** a crosslinker enabled 3D printing at speeds up to 8.46 cm h-1with layer thicknesses as thin as 50μ*** mechanical properties of the printed objects were tunable by adjusting resin components,allowing for a range of material characteristics from brittle to elastomeric （tensile strength ranging from 13.9 to 31.7 MPa,Young’s modulus ranging from 185.6 to 992.7 MPa and elongation at break ranging from 2.8%to 68.3%）.Moreover,polymer welding facilitated the creation of gradient materials,showcasing the potential for engineered applications of poly（vinyl ethers）(PVEs).

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