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Local chemical heterogeneity enabled superior zero thermal expansion in nonstoichiometric pyrochlore magnets

National science Review 2025年第3期 252-261页

作者： Yanming Sun Ruohan Yu Sergii Khmelevskyi Kenichi Kato Yili Cao Shixin Hu Maxim Avdeev Chin-Wei Wang Chengyi Yu Qiang Li Kun Lin Xiaojun Kuang Xianran Xing Beijing Advanced Innovation Center for Materials Genome Engineering Institute of Solid State Chemistry Department of Physical Chemistry University of Science and Technology Beijing The Sanya Science and Education Innovation Park of Wuhan University of Technology Vienna Scientific Cluster Research Center Technical University of Vienna RIKEN SPring-8 Center Institute of Applied Magnetics Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education Lanzhou University Australian Nuclear Science and Technology Organisation School of Chemistry The University of Sydney Neutron Group Synchrotron Radiation Research Center Guangxi Key Laboratory of Electrochemical and magnetochemical Functional Materials College of Chemistry and Bioengineering Guilin University of Technology

The design of zero thermal expansion（ZTE） materials is urgently required as dimension-stable components in widespread modern high-precision technologies. Local chemical order has been of great importance in engineering advanced inorganic materials, but its role in optimizing the ZTE is often overlooked. Herein, we propose local composition heterogeneity for developing superior ZTE via a nonstoichiometric strategy. A remarkably low coefficient of thermal expansion of αa= +1.07 × 10-6K-1is achieved from 3 to 440 K in a quaternary Zr-Nb-Fe-Co pyrochlore magnet, which is the widest temperature range among known cubic ZTE metals. High-resolution synchrotron X-ray diffraction and magnetization measurements reveal that all the Bragg peaks split as resulting from two cubic phases with different magnetic orders. Scanning transmission electron microscopy, M?ssbauer spectroscopy and theoretical calculations indicate that such phase separation intimately derives from excess Co dopant preferentially clustering on the Fe pyrochlore-lattice（16d） and simultaneously yielding an antisite Fe on Zr/Nb sublattice（8a）. The Co content in pyrochlore-lattice has weaker exchange interactions than that of Fe, but the antisite Fe introduces extra positive exchange interactions between 8a and 16d sites. Local composition fluctuation of Co and Fe thus affects the interplanar ferromagnetic order of pyrochlore-lattice and balances the normal phonon effect successively on heating. Superior corrosion resistance to both acid and alkaline conditions merits potential applications of the present ZTE metal.

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Solution‑Processed Transparent Conducting Electrodes for Flexible Organic Solar Cells with 16.61% Efficiency

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Nano-Micro Letters 2021年第3期13卷 39-52页

作者： Juanyong Wan Yonggao Xia Junfeng Fang Zhiguo Zhang Bingang Xu Jinzhao Wang Ling Ai Weijie Song Kwun Nam Hui Xi Fan Yongfang Li Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingbo 315201People’s Republic of China School of Physics and Electronics Science Engineering Research Center of Nanophotonics and Advanced InstrumentMinistry of EducationEast China Normal UniversityShanghai 200241People’s Republic of China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitution of ChemistryChinese Academy of SciencesBeijing 100190People’s Republic of China Nanotechnology Center Institute of Textiles and ClothingThe Hong Kong Polytechnic UniversityHung HomKowloonHong Kong 999077People’s Republic of China Department of Material Science and Engineering Hubei UniversityWuhan 430062People’s Republic of China State Key Laboratory of Organic/Inorganic Composites Beijing Advanced Innovation Center for Soft Matter Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacaoAvenida da UniversidadeTaipaMacao SAR 999078People’s Republic of China

Nonfullerene organic solar cells(OSCs)have achieved breakthrough with pushing the efficiency exceeding 17%.While this shed light on OSC commercialization,high-performance flexible OSCs should be pursued through solution ***,we report a solution-processed flexible OSC based on a transparent conducting PEDOT:PSS anode doped with trifluoromethanesulfonic acid(CF3SO3H).Through a low-concentration and low-temperature CF3SO3H doping,the conducting polymer anodes exhibited a main sheet resistance of 35Ωsq−1(minimum value:32Ωsq−1),a raised work function(≈5.0 eV),a superior wettability,and a high electrical *** high work function minimized the energy level mismatch among the anodes,hole-transporting layers and electron-donors of the active layers,thereby leading to an enhanced carrier *** solution-processed flexible OSCs yielded a record-high efficiency of 16.41%(maximum value:16.61%).Besides,the flexible OSCs afforded the 1000 cyclic bending tests at the radius of 1.5 mm and the long-time thermal treatments at 85°C,demonstrating a high flexibility and a good thermal stability.

关键词： Solution-processed transparent conducting electrode Flexible organic solar cell PEDOT:PSS Trifluoromethanesulfonic acid doping Solution processing

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Proposal for realizing and probing topological crystalline insulators in optical lattices

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Physical Review A 2024年第6期110卷 063309-063309页

作者： Jing-Xin Liu Jian-Te Wang Shi-Liang Zhu National Laboratory of Solid State Microstructures and School of Physics Nanjing University Nanjing 210093 China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093 China Key Laboratory of Atomic and Subatomic Structure and Quantum Control (Ministry of Education) Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter School of Physics South China Normal University Guangzhou 510006 China Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials Guangdong-Hong Kong Joint Laboratory of Quantum Matter Frontier Research Institute for Physics South China Normal University Guangzhou 510006 China Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area Shenzhen China

We develop a lattice model which exhibits topological transitions from Z2 topological insulators to mirror-symmetry-protected topological crystalline insulators by introducing additional spin-orbit coupling terms. The topological phase is characterized by the mirror winding number, defined within the mirror-symmetry-invariant subspace, which ensures the protection of gapless edge states and zero-energy corner states under specific boundary conditions. Additionally, we propose a feasible scheme using ultracold atoms confined in a stacked hexagonal optical lattice with Raman fields to realize the two-dimensional topological crystalline insulators. Detection of the mirror winding number in these systems can be achieved by implementing a simple quench sequence and observing the evolution of the time-of-flight patterns.

关键词： Topology

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Symmetry-broken silicon disk array as an efficient terahertz switch working with ultra-low optical pump power

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Chinese Physics B 2020年第8期29卷 72-77页

作者： Zhanghua Han Hui Jiang Zhiyong Tan Juncheng Cao Yangjian Cai Shandong Provincial Key Laboratory of Optics and Photonic Devices School of Physics and ElectronicsShandong Normal UniversityJinan 250358China Key Laboratory of Terahertz Solid-State Technology Shanghai Institute of Microsystems and Information TechnologyChinese Academy of SciencesShanghai 200050China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China

The advancement of terahertz technology in recent years and its applications in various fields lead to an urgent need for functional terahertz components,among which a terahertz switch is one example of the most importance because it provides an effective interface between terahertz signals and information in another physical *** date many types of terahertz switches have been investigated mainly in the form of metamaterials made from metallic structures and optically-active ***,these reported terahertz switches usually suffer from an inferior performance,e.g.,requiring a high pump laser power density due to a low quality factor of the metallic metamaterial *** this paper,we report and numerically investigate a symmetry-broken silicon disk based terahertz resonator array which exhibits one resonance with ultrahigh quality factor for normal incidence of the terahertz *** resonance,which can never be excited for regular circular Si disks,can help to realize a superior terahertz switch with which only an ultra-low optical pump power density is required to modify the free carrier concentration in Si and its refractive index in the terahertz *** findings demonstrate that to realize a high terahertz transmittance change from 0 to above 50%,the required optical pump power density is more than 3 orders of magnitude smaller than that required for a split-ring resonator(SRR)based terahertz switch reported in the literature.

关键词： silicon disk symmetry-broken terahertz switch photocarrier bound state in continuum

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Highly stretchable and reliable graphene oxide- reinforced liquid gating membranes for tunable gas/liquid transport

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Microsystems & Nanoengineering 2020年第1期6卷 717-727页

作者： Wei Lv Zhizhi Sheng Yinglin Zhu Jing Liu Yi Lei Rongrong Zhang Xinyu Chen Xu Hou Department of Physics Research Institute for Biomimetics and Soft MatterFujian Provincial Key Laboratory for Soft Materials ResearchJiujiang Research InstituteCollege of Physical Science and TechnologyXiamen University361005 XiamenChina State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen University361005 XiamenChina Collaborative Innovation Center of Chemistry for Energy Materials Xiamen University361005 XiamenChina

The ability of membrane technologies to dynamically tune the transport behavior for gases and liquids is critical for their *** various methods have been developed to improve membrane success,tradeoffs still exist among their properties,such as permeability,selectivity,fouling resistance,and stability,which can greatly affect the performance of *** elastomeric membrane designs can provide antifracture properties and flexibility;however,these designs still face certain challenges,such as low tensile strength and ***,researchers have not yet thoroughly developed membranes that can avoid fouling issues while realizing precise dynamic control over the transport *** this study,we show a versatile strategy for preparing graphene oxide-reinforced elastomeric liquid gating membranes that can finely modulate and dynamically tune the sorting of a wide range of gases and liquids under constant applied ***,the produced membranes exhibit antifouling properties and are adaptable to different length scales,pressures,and *** filling of graphene oxide in the thermoplastic polyurethane matrix enhances the composites through hydrogen *** and theoretical calculations are carried out to demonstrate the stability of our *** membrane exhibits good stretchability,recovery,and durability due to the elastic nature of the solid matrix and dynamic nature of the gating *** control over the transport of gases and liquids is achieved through our optimized interfacial design and controllable pore deformation,which is induced by mechanical *** strategy will create new opportunities for many applications,such as gas-involved chemical reactions,multiphase separation,microfluidics,multiphase microreactors,and particulate material synthesis.

关键词： transport fouling liquid

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Surpassing electrocatalytic limit of earth-abundant Fe^(4+)embedded in N-doped graphene for(photo)electrocatalytic water oxidation

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Journal of Energy Chemistry 2021年第3期30卷 274-281页

作者： Wenjia Xue Feng Cheng Menglu Li Wenjian Hu Congping Wu Bing Wang Kuowei Liao ZhenTao Yu Yingfang Yao Wenjun Luo Zhigang Zou Eco-materials and Renewable Energy Research Center(ERERC) College of Engineering and Applied SciencesNanjing UniversityNanjing 210093JiangsuChina Key Laboratory for Advanced Technology in Environment Protection of Jiangsu Province Vancheng Institute of TechnologyYancheng 224051JiangsuChina Jiangsu Key Laboratory for Nano Technology National Laboratory of Solid State MicrostructvresDepartment of PhysicsNanjing UniversityNanjing 210093JiangsuChina Collaborative Innovation Center of Advanced Microstructures Nanjing UniversityNanjing 210093JiangsuChina Kunshan Innovation Institute of Nanjing University Suzhou 215347JiangsuChina School of Science and Engineering The Chinese University of Hong KongShenzhen2001 Longxiang BlvdLonggang DistrictShenzhen 518172GuangdongChina Macao Institute of Systems Engineering Macao University of Science and TechnologyMacao 999078China Huazhong University of Science and Technology Wuhan National Laboratory for OptoelectronicsWuhan 430074HubeiChina

Developing highly active,cost-effective,and environmental friendly oxygen evolution reaction(OER)electrocatalysts facilitates various(photo)electrochemical *** this work,Fe3N nanoparticles encapsulated into N-doped graphene nanoshells(Fe_(3)N@NG)as OER electrocatalysts in alkaline media were *** the experimental and theoretical comparison between Fe_(3) N@NG and Fe_(3)N/NG,specifically including in situ Mossbauer analyses,demonstrated that the NG nanoshells improved interfacial electron transfer process from Fe_(3)N to NG to form high-valence Fe^(4+)ions(Fe^(4+)@NG),thus modifying electronic properties of the outer NG shells and subsequently electron transfer from oxygen intermediate to NG nanoshells for OER catalytic ***,the NG nanoshells also protected Fe-based cores from forming OER inactive and insulated Fe_(2)O_(3),leading to high OER *** a result,the as-formed Fe^(4+)@NG shows one of the highest electrocatalytic efficiency among reported Fe-based OER electrocatalysts,which can as well highly improve the photoelectrochemical water oxidation when used as the cocatalysts for the Fe_(2)O_(3) nanoarray photoanode.

关键词： Fe(Ⅳ) Photoelectrochemistry Water oxidation Oxygen evolution reaction

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Active learning of effective Hamiltonian for super-large-scale atomic structures

arXiv

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arXiv 2023年

作者： Ma, Xingyue Chen, Hongying He, Ri Yu, Zhanbo Prokhorenko, Sergei Wen, Zheng Zhong, Zhicheng Íñiguez-González, Jorge Bellaiche, L. Wu, Di Yang, Yurong National Laboratory of Solid State Microstructures and Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China Jiangsu Key Laboratory of Artificial Functional Materials Department of Materials Science and Engineering Nanjing University Nanjing210093 China Key Laboratory of Magnetic Materials Devices Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China Smart Functional Materials Center Physics Department Institute for Nanoscience and Engineering University of Arkansas FayettevilleAR72701 United States College of Electronics and Information Qingdao University Qingdao266071 China Department of Physics University of Science and Technology of China Hefei230026 China Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China Avenue des Hauts-Fourneaux 5 Esch/AlzetteL-4362 Luxembourg Department of Physics and Materials Science University of Luxembourg 41 Rue du Brill BelvauxL-4422 Luxembourg

The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the parameterization of the effective Hamiltonian is complicated and can be difficult for some complex systems such as high-entropy perovskites. Here, we propose a general form of effective Hamiltonian and develop an active machine learning approach to parameterize the effective Hamiltonian based on Bayesian linear regression. The parameterization is employed in molecular dynamics simulations with the prediction of energy, forces, stress and their uncertainties at each step, which decides whether first-principles calculations are executed to retrain the parameters. Structures of BaTiO3, Pb(Zr0.75Ti0.25)O3 and (Pb, Sr)TiO3 system are taken as examples to show the accuracy of this approach, as compared with conventional parametrization method and experiments. This machine learning approach provides a universal and automatic way to compute the effective Hamiltonian parameters for any considered complex systems with super-large-scale (more than 107 atoms) atomic structures. Copyright © 2023, The Authors. All rights reserved.

关键词： Atoms

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Secondary crystallization strategy for highly efficient inorganic CsPbI_(2)Br perovskite solar cells with efficiency approaching 17%

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Journal of Energy Chemistry 2021年第12期30卷 558-565,I0013页

作者： Jing Ma Zhenhua Lin Xing Guo Long Zhou Jian He Zhou Yang Jincheng Zhang Yue Hao Shengzhong Liu Jingjing Chang State Key Discipline Laboratory of Wide Band Gap Semiconductor Technology Shaanxi Joint Key Laboratory of GrapheneSchool of MicroelectronicsXidian University2 South Taibai RoadXi’an 710071ShaanxiChina Advanced Interdisciplinary Research Center for Flexible Electronics Xidian University2 South Taibai RoadXi’an 710071ShaanxiChina Key Laboratory of Applied Surface and Colloid Chemistry National Ministry of Education Shaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi’an 710119ShaanxiChina

Inorganic CsPbI_(2) Br perovskite solar cells(PSCs) have a tremendous development in last few years due to the trade-off between the excellent optoelectronic properties and the relatively outstanding ***,we demonstrated a strategy of secondary crystallization(SC) for CsPbI_(2) Br film in a facile planar n-i-p structure(ITO/ZnO-SnO_(2)/CsPbI_(2) Br/Spiro-OMeTAD/Ag) at low-temperature(150℃).It is achieved through the method of post-treatment with guanidinium bromine(GABr) atop annealed CsPbI_(2) Br *** was found that the secondary crystallization by GABr can not only regulate the crystal growth and passivate defects,but also serve as a charge collection center to effectively collect photogenerated *** addition,due to the excess Br ions in GABr,the formation of the Br-rich region at the CsPbI_(2) Br perovskite surface can further lower the Fermi level,leading to more beneficial band alignment between the perovskite and the hole transport layer(HTL),while the phase stability was also *** a result,the champion cell shows a superb open-circuit voltage(V_(oc)) of 1.31 V,a satisfactory power conversion efficiency(PCE) of 16.97% and outstanding *** far as we know,this should be one of the highest PCEs reported among all-inorganic CsPbI_(2) Br based PSCs.

关键词： CsPbI_(2)Br Low temperature Secondary crystallization High performance

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Field-and Current-Driven Magnetization Reversal and Dynamic Properties of CoFeB-MgO-Based Perpendicular Magnetic Tunnel Junctions

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Chinese Physics Letters 2020年第11期37卷 98-103页

作者： Qingwei Fu Kaiyuan Zhou Lina Chen Yongbing Xu Tiejun Zhou Dunhui Wang Kequn Chi Hao Meng Bo Liu Ronghua Liu Youwei Du National Laboratory of Solid State Microstructures School of Physics and Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China York-Nanjing Joint Center(YNJC)for Spintronics and Nanoengineering School of Electronics Science and EngineeringNanjing UniversityNanjing 210093China Centre for Integrated Spintronic Devices School of Electronics and InformationHangzhou Dianzi UniversityHangzhou 310018China Key Laboratory of Spintronics Materials Devices and Systems of Zhejiang ProvinceHangzhou 311305China

We report a perpendicular magnetic tunnel junction(p MTJ)cell with a tunnel magnetoresistance(TMR)ratio of nearly 200%at room temperature based on Co Fe B/Ta/Co Fe B as the free layer(FL)and a synthetic antiferromagnetic(SAF)multilayer[Pt/Co]/Ru/[Pt/Co]/Ta/Co Fe B as the reference layer(RL).The field-driven magnetization switching measurements show that the p MTJs exhibit an anomalous TMR hysteresis *** spin-polarized layer Co Fe B of SAF-RL has a lower critical switching field than that of *** reason is related to the interlayer exchange coupling(IEC)through a moderately thick Ta spacer layer among SAF-RLs,which generates a moderate and negative bias magnetic field on Co Fe B of ***,the IEC among RLs has a negligible influence on the current-driven magnetization switching of FL and its magnetization dynamics.

关键词： dynamics. magnetization negligible

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Crystalline Structure-Dependent Mechanical and Thermoelectric Performance in Ag2Se1-xSx System

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研究（英文） 2021年第1期 259-268页

作者： Jiasheng Liang Pengfei Qiu Yuan Zhu Hui Huang Zhiqiang Gao Zhen Zhang Xun Shi Lidong Chen State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of Sciences Shanghai 200050 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of Sciences Shanghai 200050 China Division of Solid-State Electronics Department of Electrical Engineering Uppsala University Uppsala Sweden State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of Sciences Shanghai 200050 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China School of Physical science and Technology ShanghaiTech University Shanghai 201210 China

Self-powered wearable electronics require thermoelectric materials simultaneously with a high dimensionless figure of merit(zT)and good flexibility to convert the heat discharged by the human body into ***2(S,Se)-based semiconducting materials can well satisfy these requirements,and thus,they are attracting great attention in thermoelectric society ***2(S,Se)crystalizes in an orthorhombic structure or monoclinic structure,depending on the detailed S/Se atomic ratio,but the relationship between its crystalline structure and mechanical/thermoelectric performance is still unclear to *** this study,a series of Ag2Se1-xSx(x=0,0.1,0.2,0.3,0.4,and 0.45)samples were prepared and their mechanical and thermoelectric performance dependence on the crystalline structure was systematically investigated.x = 0.3 in the Ag2Se,-xSx system was found to be the transition boundary between orthorhombic and monoclinic *** property measurement shows that the orthorhombic Ag2Se,.xSx samples are brittle while the monoclinic Ag2Se,-xSx samples are ductile and *** addition,the orthorhombic *** samples show better electrical transport performance and higher zT than the monoclinic samples under a comparable carrier concentration,most likely due to their weaker electron-phonon *** study sheds light on the further development of flexible inorganic TE materials.

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