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The emergence of electron spin in interdisciplinary research in chemistry

National Science Review 2024年第9期11卷 7-8页

作者： Shang-Da Jiang Li-Zhu Wu Song Gao Spin-X Institute School of Chemistry and Chemical Engineering State Key Laboratory of Luminescent Materials and Devices Guangdong-Hong Kong-Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials South China University of Technology Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and Chemistry Chinese Academy of Sciences Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education Guangdong Basic Research Center of Excellence for Functional Molecular EngineeringSchool of Chemistry IGCME Sun Yat-Sen University Beijing National Laboratory of Molecular Science Beijing Key Laboratory of Magnetoelectric Materials and Devices College of Chemistry and Molecular Engineering Peking University

Spin chemistry, by definition, deals with the effects of electron and nuclear spins in the chemical context, and phenomenologically includes all kinds of observations regarding rates and yields of chemical reactions and properties of molecules that are related to the magnetic field. The development of spin chemistry calls for joint efforts involving research communities spanning physics, chemistry, biology, materials science and information science, and will play a crucial role in scientific and technologic innovations. Electron spins in paramagnetic molecules have provided a unique degree of freedom in the study of the physical and chemical properties of molecules.

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Quantum anomalous hall effect in collinear antiferromagnetism

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npj Computational materials 2023年第1期9卷 1655-1660页

作者： Peng-Jie Guo Zheng-Xin Liu Zhong-Yi Lu Department of physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of China100872 BeijingChina

The two-dimensional Quantum Hall effect with no external magnetic field is called the Quantum anomalous Hall (QAH) effect. Sofar, experimentally realized QAH insulators all exhibit ferromagnetic order and the QAH effect only occurs at very low *** the other hand, up to now the QAH effect in collinear antiferromagnetic (AFM) materials has never been reported and thecorresponding mechanism has never been proposed. In this work, we realize the QAH effect by proposing a four-band lattice modelwith static AFM order, which indicates that the QAH effect can be found in AFM materials. Then, as a prototype, we demonstratethat a monolayer CrO can be switched from an AFM Weyl semimetal to an AFM QAH insulator by applying strain, based onsymmetry analysis and the first-principles electronic structure calculations. Our work not only proposes a scenario to search for QAHinsulators in materials, but also reveals a way to considerably increase the critical temperature of the QAH phase.

关键词： materials effect effect

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Prediction of LiCrTe_(2)monolayer as a half-metallic ferromagnet with a high Curie temperature

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Chinese Physics B 2023年第5期32卷 146-152页

作者：肖丽蔓杨焕成卢仲毅 Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China

By using first-principles electronic structure calculations,we predict a new two-dimensional half-metallic ferromagnet(2DHMF)with distorted square structure,i.e.,the LiCrTe_(2) *** results show that the LiCrTe_(2) monolayer is dynamically,thermally,and mechanically stable,and takes a large in-plane magnetic anisotropy,a wide spin gap,a large magnetization,and a very high Curie *** a biaxial strain ranging from-5% to+5%,the ferromagnetism,half-metallicity,and high Curie temperature are maintained *** tensile and compressive strains can significantly increase the magnitude of the magnetocrystalline anisotropy energy(MAE)and a transition from in-plane easy-x(y)-axis to out-of-plane easy-z-axis occurs when the compressive strain exceeds 1%.Our systematic study of the LiCrTe_(2) monolayer enables its promising applications in spintronics.

关键词： two-dimensional half-metallic ferromagnet electronic structures first-principles calculations

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Large-scale controllable fabrication of aluminum nanobowls for surface plasmon-enhanced fluorescence

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Nano Research 2023年第7期16卷 10131-10138页

作者： Yawen Wang Heng Gao Yuanlan Liu Dong Li Bo Zhao Wenkai Liang Yinghui Sun Lin Jiang Institute of Functional Nano and Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou 215123China College of Energy Soochow Institute for Energy and Materials Innovations and Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215006China

Al nanoparticles(NPs)exhibit excellent localized surface plasmon resonance(LSPR)properties and have been considered a promising alternative to plasmonic Au or Ag ***,it remains difficult to fabricate Al NPs with uniform size and controllable morphology over a large area on substrates,which seriously hinders the in-depth exploration of their properties and ***,we have developed a self-assembly nanoparticle template method to realize the controllable preparation of bowl-shaped Al NPs(Al nanobowls(Al NBs))with tunable sizes from 36 to 131 nm on the substrate surface,accompanied by tunable LSPR spectral responses from 272 to 480 *** them,131 nm Al NBs exhibit superior fluorescence enhancement ability(1932.2-fold)and a low detection limit(78.6 pM)towards 5-carboxyfluorescein,exceeding comparable Ag NBs and Au nanospheres(NSs).This can be attributed to the strong electromagnetic enhancement induced by the LSPR effect and the effective inhibition of fluorescence quenching caused by the self-passivated oxide ***,the successful fabrication of Al NBs on substrates is of vital significance for their promising applications,including surface-enhanced spectroscopy,sensitive fluorescence detection,light-harvesting devices,biosensing,and ultraviolet(UV)plasmonics.

关键词： Al nanoparticles controllable size localized surface plasmon resonance(LSPR) large-area fabrication fluorescence enhancement

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Distance-dependent magnetization modulation induced by inter-superatomic interactions in Cr-doped Au6Te12Se8 dimers

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中国物理B（英文版） 2024年第12期33卷 457-465页

作者：官雨柔刘南舒王聪庞斐程志海季威 Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-Nano Devices School of Physics Renmin University of China Beijing 100872 China Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education) Renmin University of China Beijing 100872 China

Individual superatoms are assembled into more complicated nanostructures to diversify their physical *** of assembled superatoms remains,however,ambiguous,particularly in terms of its distance ***,we report density functional theory calculations on the distance-dependent magnetism of transition metal embed-ded Au6Te8Se12(ATS)superatomic *** the four considered transition metals,which include V,Cr,Mn and Fe,the Cr-embedded Au6Te12Se8(Cr@ATS)is identified as the most suitable for exploring the inter-superatomic distance-dependent *** thus focused on Cr@ATS superatomic dimers and found an inter-superatomic magnetization-distance oscillation where three transitions occur for magnetic ordering and/or anisotropy at different inter-superatomic *** the inter-superatomic distance elongates,a ferromagnetism(FM)-to-antiferromagnetic(AFM)transition and a sequential AFM-to-FM transition occur,ascribed to competitions among Pauli repulsion and kinetic-energy-gains in formed inter-superatomic Cr-Au-Au-Cr covalent bonds and Te-Te quasi-covalent *** the third transition,in-plane electronic hybridization contributes to the stabilization of the AFM *** work unveils two mechanisms for tuning magnetism through non-covalent interactions and provides a strategy for manipulating magnetism in superatomic assemblies.

关键词： low dimensional materials magnetic interactions

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Abnormal dielectric behavior of glaserite-type Ba_(3−x)Sr_(x)MgSi_(2)O_(8)solid solution

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Journal of Advanced Ceramics 2025年第2期14卷 77-86页

作者： Jiaqing Yang Peng Lei Xiaoqiang Song Changzhi Yin Meng Zhang Weicheng Lei Yiyang Cai Mingfei Cheng Yaodong Liu Zihang Chen Yaqing Hu Wenzhong Lu Wen Lei School of Optical and Electronic Information Key Lab of Functional Materials for Electronic Information(B)of MOEHuazhong University of Science and TechnologyWuhan 430074China Wenzhou Key Laboratory of Microwave Communication Materials and Devices Wenzhou Advanced Manufacturing Institute of HUSTWenzhou 325035China

The temperature coefficient of the resonant frequency(τ_(f))of low-permittivity(ε_(r))microwave dielectric ceramics is required to be near 0 ppm/℃for practical ***,owing to the polarization mechanism,τ_(f)of low-ε_(r)microwave dielectric ceramics is generally ***,a novel microwave dielectric ceramic,Ba_(3−x)Sr_(x)MgSi_(2)O_(8),with an abnormal positiveτ_(f)at the applied temperature is *** this study,Sr^(2+)with a relatively small ionic radius was introduced to replace Ba^(2+),and a single-phase solid solution was formed(x>0.5).Ba_(3−x)Sr_(x)MgSi_(2)O_(8)ceramics were discussed in glaserite-type topology with space groups of P_(3)^(-)for x≤0.5,relatively high symmetry P_(3)^(-)m1 for 0.5functional theory simulation calculations revealed that the preferential occupation of Sr^(2+)ions could decrease the intrinsic formation energy and improve the microwave dielectric properties by mitigating the ionic size mismatch within the crystal *** present research offers a strategy for discovering novel microwave dielectric ceramics with abnormalτ_(f)values,which could serve as τ_(f)regulators in practical applications because of their low cost and excellent microwave dielectric properties.

关键词： microwave dielectric ceramics abnormal dielectric behavior ion size mismatch [SiO4]tetrahedra tilting phase transition density functional theory(DFT)

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Coexistence of Dirac and Weyl points in non-centrosymmetric semimetal NbIrTe_(4)

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Chinese Physics B 2024年第4期33卷 146-151页

作者：刘清馨付阳丁鹏飞马欢郭朋杰雷和畅王善才 Department of Physics Key Laboratory of Quantum State Construction and ManipulationRenmin University of ChinaBeijing 100872China Beijing Key Laboratory of Opto-Electronic Functional Materials&Micro-Nano Devices Renmin University of ChinaBeijing 100872China

Using angle-resolved photoemission spectroscopy and density functional theory calculations methods,we investigate the electronic structures and topological properties of ternary tellurides NbIrTe_(4),a candidate for type-II Weyl *** demonstrate the presence of several Fermi arcs connecting their corresponding Weyl points on both termination surfaces of the topological *** analysis reveals the existence of Dirac points,in addition to Weyl points,giving both theoretical and experimental evidences of the coexistence of Dirac and Weyl points in a single *** findings not only confirm NbIrTe_(4) as a unique topological semimetal but also open avenues for exploring novel electronic devices based on its coexisting Dirac and Weyl fermions.

关键词： Fermi arc Weyl point Dirac point angle-resolved photoemission spectroscopy

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functional ternary salt construction enabling an in-situ Li3N/LiF-enriched interface for ultra-stable all-solid-state lithium metal batteries

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Journal of Energy Chemistry 2025年第2期101卷 68-75,I0003页

作者： Hong-Yan Liu Xin-Yu Liu Nan Zhang Peng-Fei Wang Zong-Lin Liu Jie Shu Ting-Feng Yi School of Materials Science and Engineering Northeastern UniversityShenyang 110819LiaoningChina Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004HebeiChina Faculty of Materials Science and Chemical Engineering and Key Laboratory of Photoelectric Detection Materials and Devices of Zhejiang Province Ningbo UniversityNingbo 315211ZhejiangChina

Poly(ethylene oxide)-based polymer all-solid-state lithium metal batteries(ASSLBs)have received widespread attention due to their low cost,good process ability,and high energy ***,the growth of Li dendrites within polymer solid-state electrolytes damages the reversibility of Li anodes and still impedes their widespread *** efficient strategy is to construct a superior solid electrolyte ***,a stable interface enriched with Li3N and LiF is in-situ formed between Li anode and a terna ry salt *** terna ry salt electrolyte is innovatively designed by introducing lithium bis(trifluoromethane sulfonyl)imide(LiTFSI),lithium bis(fluorosulfonyl)imide(LiFSI),and LiNO_(3)to poly(ethylene oxide)*** characterization indicates that LiNO3and LiFSI contribute to forming a Li3N-LiF-enriched interface and meanwhile LiTFSI ensures excellent ***,among various Li compound components,Li3N has high ionic conductivity,which is beneficial for reducing overpotential,while LiF has high interfacial energy which can enhance nucleation energy and suppress the formation of Li *** experimental results show that ASSLBs coupled with LiFePO4cathode display extremely excellent cycle stability approximately 2200 cycles at 2 C,with a final and corresponding discharge specific capacity of 96.7 mA h g^(-1).Additionally,a schematic illustration of the working mechanism for the Li_(3)N-LiF interface is proposed.

关键词： Solid electrolyte All-solid-state lithium metal batteries PEO(LiTFSI) In-situ SEI Lithium dendrite

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Microstructure evolution of hot-deformed SmCo-based nanocomposites induced by thermo-mechanical processing

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Journal of materials Science & Technology 2023年第7期138卷 193-202页

作者： Yuan Teng Yuqing Li Xiaochang Xu Ming Yue Weiqiang Liu Dongtao Zhang Hongguo Zhang Qingmei Lu Weixing Xia Faculty of Materials and Manufacturing Key Laboratory of Advanced Functional MaterialsMinistry of Education of ChinaBeijing University of TechnologyBeijing 100124China Key Laboratory of Magnetic Materials and Devices Ningbo Institute of Material Technology and EngineeringChinese Academy of SciencesNingbo 315201China

Nanocomposite permanent magnets have ultra-high theoretical magnetic energy products,due to cou-pling of the soft/hard magnetic phases,inciting strict microstructural *** this study,the microstructure evolution,including the phase transition,morphological changes,and texture formation,of hot-deformed SmCo-based nanocomposites under thermal-stress-strain coupling was characterized to determine a possible strategy for achieving high *** SmCo_(5)/α-Fe nanocomposites precursor contained fine and dispersed Sm(Fe,Co)_(5)and Fe-Co grains and exhibited a two-stage phase transforma-tion accompanied by grain *** the early stage of deformation at relatively low temperature,the adjacent Sm(Co,Fe)5 and Fe-Co phase formed the Sm_(2)(Co,Fe)_(17)-H phase,which was stable only with small grain *** the high-temperature deformation stage,the Sm_(2)(Co,Fe)_(17)-H phase transformed into the Sm_(2)(Co,Fe)_(17)-R phase with large grain *** addition,the strong c-axis texture formed in the Sm(Co,Fe)_(5)phase but not in the Sm_(2)(Co,Fe)_(17)-R ***,the phase transition process and texture formation mechanism were systematically analyzed by transmission electron *** ini-tiation of a slip system and/or preferential grain growth explained the formation of texture under the action of uniform stress and strain and assisted by dispersed Sm-rich *** Sm_(2)(Co,Fe)_(17)-R grains with poor orientations and large grain sizes did not achieve magnetic hardening,which also dam-age the magnetic *** to the results of this work,we also presented a new strategy to prepare high-performance SmCo-based nanocomposites magnets.

关键词： Nanocomposites Phase transition Microstructure C-axis texture Hot deformation

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Room-temperature synthesis of full-component APbX_(3)perovskite nanocrystal inks for optoelectronic applications

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Journal of Energy Chemistry 2024年第5期92卷 87-94页

作者： Xinyu Zhao Du Li Xuliang Zhang Hehe Huang Chenyu Zhao Wanli Ma Jianyu Yuan Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhou 215123JiangsuChina Jiangsu Key Laboratory for Carbon-Based Functional Materials&Devices Soochow UniversitySuzhou 215123JiangsuChina Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123JiangsuChin

Lead halide perovskite nanocrystals(PNCs)have received great research interests due to their excellent optoelectronic ***,high temperature,inert gas protection and insulating long-chain ligands are used during the conventional hot-injection synthesis of PNCs,which limits their practical *** this work,we first develop a simple and scalable polar-solvent-free method for the preparation of full-component APbX_(3)(A=Cs,methylammonium(MA),formamidinium(FA),X=Cl,Br,I)PNCs under ambient *** an exothermic reaction between butylamine(BA)and propionic acid(PA)short ligands,the PbX_(2) precursors could be well dissolved without use of any polar ***,the relatively lower growth rate of PNCs in our room-temperature reaction enables us to modulate the synthetic procedure to enhance the scalability(40-fold)and achieve large-scale *** resultant short ligands passivated PNC inks are compatible with varying solution depositing technique like spray coating for large-area ***,we showcase that adopting the as-prepared MAPbI_(3) PNC inks,a self-powered photodetector is fabricated and shows a high *** results demonstrate that our ambient-condition synthetic approach can accelerate the preparation of tunable and ready-to-use PNCs towards commercial optoelectronic applications.

关键词： Room-temperaturesynthesis Perovskite nanocrystals Short-chainligands Large-scale Photodetector

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