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Chinese physics B 2024年第11期33卷 1-11页

作者： Stephen J.Pennycook Ryo Ishikawa Haijun Wu Xiaoxu Zhao Changjian Li Duane Loh Jiadong Dan Wu Zhou School of Physical Sciences and CAS Key Laboratory of Vacuum Physics University of Chinese Academy of SciencesBeijing 100049China Department of Materials Science and Engineering University of TennesseeKnoxvilleTN37996USA Institute of Engineering Innovation University of TokyoTokyo 113-8656Japan State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong UniversityXi'an 710049China School of Materials Science and Engineering Peking UniversityBeijing 100871China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Department of Physics National University of SingaporeSingapore 117551Singapore Department of Biological Sciences National University of SingaporeSingapore 117558Singapore

The electron microscope provides numerous insights into physics, from demonstrations of fundamental quantummechanical principles to the physics of imaging and materials. It reveals the atomic and electronic structure of key regionssuch as defects and interfaces. We can learn the underlying physics governing properties, and gain insight into how tosynthesize new materials with improved properties. Some recent advances and possible future directions are discussed.

关键词： scanning transmission electron microscopy materials science point defects artificial intelligence

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Dipole-obstructed Cooper pairing: Theory and application to j=32 superconductors

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Physical Review B 2025年第8期111卷 L081107-L081107页

作者： Penghao Zhu Rui-Xing Zhang Department of Physics The Ohio State University Columbus Ohio 43210 USA Department of Physics and Astronomy The University of Tennessee Knoxville Tennessee 37996 USA Department of Materials Science and Engineering The University of Tennessee Knoxville Tennessee 37996 USA

Like electrons, Cooper pairs can carry a monopole charge if the pairing electrons come from two or more Fermi surfaces with different Chern numbers. In such an instance, a superconductor is necessarily nodal due to an inherent topological pairing obstruction. In this work, we show that a similar obstruction is also possible when there is only one Fermi surface involved in the pairing process. By developing a Chern-vorticity theorem, we have identified a class of Fermi surfaces with a quantized dipolar Berry flux pattern, where all intra-Fermi-surface Cooper pairings are “dipole obstructed” and nodal. As a real-world application, we find that the dipole obstruction plays a crucial role in stabilizing the superconducting nodal structure for j=32 half-Heusler compounds.

关键词： Fermi surface

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Stable Cycling of All-Solid-State Lithium Batteries Enabled by Cyano-Molecular Diamond Improved Polymer Electrolytes

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Nano-Micro Letters 2024年第10期16卷 561-575页

作者： Yang Dai Mengbing Zhuang Yi-Xiao Deng Yuan Liao Jian Gu Tinglu Song Hao Yan Jin-Cheng Zheng Department of Chemical Engineering Shanghai UniversityShangda Road 99Shanghai 200444People's Republic of China Department of Physics Xiamen UniversityXiamen 361005People's Republic of China Experimental Center of Advanced Materials School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081People's Republic of China Department of Physics and Department of New Energy Science and Engineering Xiamen University Malaysia43900 SepangMalaysia

The interfacial instability of the poly(ethylene oxide)(PEO)-based electrolytes impedes the long-term cycling and further application of all-solid-state lithium metal *** this work,we have shown an effective additive 1-adaman-tanecarbonitrile,which con-tributes to the excellent per-formance of the poly(ethylene oxide)-based *** to the strong interaction of the 1-Adamantanecarboni-trile to the polymer matrix and anions,the coordination of the Li^(+)-EO is weakened,and the binding effect of anions is strengthened,thereby improving the Li^(+)conductivity and the electrochemical *** diamond building block on the surface of the lithium anode can sup-press the growth of lithium ***,the 1-Adamantanecarbonitrile also regulates the formation of LiF in the solid electrolyte interface and cathode electrolyte interface,which contributes to the interfacial stability(especially at high voltages)and protects the electrodes,enabling all-solid-state batteries to cycle at high voltages for long periods of ***,the Li/Li symmetric cell undergoes long-term lithium plating/stripping for more than 2000 h.1-Adamantanecarbonitrile-poly(ethylene oxide)-based LFP/Li and 4.3 V Ni_(0.8)Mn_(0.1)Co_(0.1)O_(2)/Li all-solid-state batteries achieved stable cycles for 1000 times,with capacity retention rates reaching 85%and 80%,respectively.

关键词： 1-Adamantanecarbonitrile(ADCN) Poly(ethylene oxide) All-solid-state batteries Interfacial stability High voltage

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Indirect-to-direct band gap transition induced by d−d coupling between cations in rare-earth chalcogenide perovskites

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Physical Review B 2024年第4期110卷 L041201-L041201页

作者： Han Zhang Yichun Pan Zexin Liu Biao Zeng Xiaowei Wu Chen Ming Guoqing Xin Weihang Zhou Hao Zeng Shengbai Zhang Yi-Yang Sun State Key Laboratory of High Performance Ceramics and Superfine Microstructure Center of Materials Science and Optoelectronics Engineering Wuhan National High Magnetic Field Center and School of Physics Department of Physics University at Buffalo The Department of Physics Applied Physics and Astronomy

Chalcogenide perovskite materials have been shown to exhibit excellent properties for optoelectronics and photovoltaics. The research, however, has been focused on the II-IV-S3 series of compounds. Here, by theoretical calculation, we predict that in the III-III-S3 perovskites, there could exist a transition between the indirect and direct band gaps induced by the coupling strength of the d orbitals between the A-site and B-site cations. We validate this prediction by synthesizing LaScS3 through solid state reaction from three elemental materials. Micro-Raman analysis combined with Raman tensor calculations are used to identify the perovskite phase of micrometer-size grains, from which photoluminescence can be observed. The emitted light peaks at about 519 nm (or 2.39 eV), which corresponds to the largest band gap among the sulfide perovskites. The discovery of light-emitting LaScS3 enriches the family of chalcogenide perovskites for optoelectronic applications.

关键词： Band gap First-principles calculations Luminescence Optoelectronics Perovskites

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Multi-dimensional Bi@C electrocatalyst for Cr3+/Cr2+ redox reaction boosting high-performance iron-chromium flow batteries

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science China Chemistry 2025年第6期68卷 2735-2743页

作者： Min Wu Mingjun Nan Shumin Liu Caihe Zhong Lin Qiao Huamin Zhang Xiangkun Ma Department of Materials Science and Engineering Dalian Maritime University Division of Energy Storage Dalian National Laboratory for Clean Energy Dalian Institute of Chemical Physics Chinese Academy of Sciences

With the increasing demand for energy storage technology, iron-chromium flow batteries（ICFBs） have been widely concerned because of their price advantage. However, the low electrochemical activity of Cr3+/Cr2+redox couples and the side hydrogen evolution reaction limit the industrial application of ICFBs. A multi-dimensional Bi/carbon composite electrocatalyst（Bi@C）for ICFB is designed and prepared to improve the electrochemical activity of Cr3+/Cr2+redox couples. Benefiting by using the Bimetal organic framework（Bi-MOF） with solid matrix as precursors, Bi nanospheres are highly dispersed on the Bi@C electrocatalyst that effectively enhances the electrochemical activity. The special morphology of Bi@C electrocatalyst helps the transfer of electrons and ions, significantly reducing the polarization of battery. Herein, the 3D porous carbon frames accelerate mass transfer, and the 2D carbon nanobelts and carbon layer coating on 0D Bi nanospheres improve the conductivity of Bi nanospheres. Therefore, the ICFB with multi-dimensional Bi@C electrocatalyst exhibits coulombic efficiency of 98.10% and energy efficiency of 79.14% at 140 m A cm-2, which is higher than ICFBs with commercial graphite carbon electrocatalyst and with heat treatment carbon felt. This work provides a simple and economical method to fabricate a high-performance multidimensional Bi@C electrocatalyst for Cr3+/Cr2+redox couples, boosting the development of ICFBs.

关键词： iron-chromium flow batteries bismuth multi-dimensional structure electrocatalyst Cr3+/Cr2+ redox couple

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Annealing atmosphere-dependent capacitive energy storage

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Rare Metals 2023年第5期42卷 1465-1471页

作者： Bing-Bing Yang Hai-Yun Tong Shun Lan Yi-Qian Liu Lv-Ye Dou Hao Pan Yuan-Hua Lin State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing100084China School of Physics and Materials Engineering Hefei Normal UniversityHefei230601China Department of Materials Science and Engineering University of CaliforniaBerkeley94720USA

Electrostatic capacitors based on dielectrics with high energy density and efficiency are desired for modern electrical systems owing to their intrinsic fast charging-discharging speed and excellent *** longstanding bottleneck is their relatively small energy ***,we report enhanced energy density and efficiency in the Aurivillius Pb_(2)Bi_(4)Ti_(5)O_(18)films by controlling the post-annealing *** results demonstrate that the fabrication atmosphere has significant effects on the film texture and *** the increase of the oxygen pressure of annealing atmosphere,the Pb_(2)Bi_(4)Ti_(5)O_(18)films show a preferred growth orientation of(00l)and fewer defects,which leads to a higher polarization and breakdown field for the film annealed in air atmosphere and thus help to achieve an ultrahigh energy density of59.4 J·cm^(-3)and an improved efficiency of 81.2%.Moreover,the film also exhibits excellent cycling reliability and good thermal *** Pb_(2)Bi_(4)Ti_(5)O_(18)films show a significant potential application for dielectric capacitors.

关键词： Aurivillius phase film Annealing atmosphere Energy density Efficiency

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On the Factors Influencing the High Stretch-Flangeability of a Low-Density 1180 MPa Fe-Mn-Al-C-Nbδ-QP Steel

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1291-1300页

作者： Dan‑Dan Cui Peng Chen Peng‑Fei Wang Xiao‑Wu Li Department of Materials Physics and Chemistry School of Materials Science and Engineeringand Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education)Northeastern UniversityShenyang 110819China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China

Low-densityδ-quenching and partitioning(δ-QP)steels with excellent strength and ductility have been recently ***,there are still rare reports on the formability of δ-QP steels,which are critical for satisfying the manufacture of structural parts during the application in automotive *** the present work,an 1180 MPa Fe–Mn–Al–C–Nbδ-QP steel with a high ductility was adopted for the stretch–flangeability ***δ-QP steel was developed by separated quenching and partitioning processes.A good hole expansion ratio(HER)of 34.9±0.9%was obtained in the quenched steel,but it has been further increased to 52.2%by the tempering *** improved stretch–flangeability was attributed to the enhanced austenite stability and deformation *** the one hand,the stability of austenite was increased by carbon partitioning during tempering,which reduced crack possibility via the suppression of the fresh martensite *** the other hand,the tempering treatment released the internal stress caused by martensitic transformation and reduced the difference in strength among different phases,resulting in an increase in the resistance to crack initiation and propagation.

关键词： Hole expansion ratio Low-densityδ-quenching and partitioning(δ-QP)steel Stretch-flangeability Austenite stability Deformation uniformity

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Relaxor antiferroelectric-relaxor ferroelectric crossover in NaNbO_(3)-based lead-free ceramics for high-efficiency large-capacitive energy storage

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Chinese Chemical Letters 2024年第7期35卷 465-469页

作者： Shuangliang Xie Yuyue Chen Qing He Liang Chen Jikun Yang Shiqing Deng Yimei Zhu He Qi School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China Beijing Advanced Innovation Center for Materials Genome Engineering Department of Physical ChemistryUniversity of Science and Technology BeijingBeijing 100083China School of Mathematics and Physics University of Science and Technology BeijingBeijing 100083China Department of Condensed Matter Physics and Materials Science Brookhaven National LaboratoryUptonNew York 11973United States

Relaxor ferroic dielectrics have garnered increasing attention in the past decade as promising materials for energy *** them,relaxor antiferroelectrics(AFEs)and relaxor ferroelectrics(FEs)have shown great promise in term of high energy storage density and efficiency,*** this study,a unique phase transition from relaxor AFE to relaxor FE was achieved for the first time by introducing strong-ferroelectricity BaTiO_(3)into NaNbO_(3)-BiFeO_(3)system,leading to an evolution from AFE R hierarchical nanodomains to FE polar nanoregions.A novel medium state,consisting of relaxor AFE and relaxor FE,was identified in the crossover of 0.88NaNbO_(3)–0.07BiFeO_(3)–0.05BaTiO_(3)ceramic,exhibiting a distinctive core-shell grain structure due to the composition *** harnessing the advantages of high energy storage density from relaxor AFE and large efficiency from relaxor FE,the ceramic showcased excellent overall energy storage *** achieved a substantial recoverable energy storage density W_(rec)~13.1 J/cm^(3)and an ultrahigh efficiencyη~88.9%.These remarkable values shattered the trade-off relationship typically observed in most dielectric capacitors between W_(rec)andη.The findings of this study provide valuable insights for the design of ceramic capacitors with enhanced performance,specifically targeting the development of next generation pulse power devices.

关键词： Relaxor ferroelectric Antiferroelectric Core-shell Energy storage High efficiency

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Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened rangeseparated hybrid functional

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npj Computational materials 2024年第1期10卷 132-140页

作者： María Camarasa-Gómez Stephen E.Gant Guy Ohad Jeffrey B.Neaton Ashwin Ramasubramaniam Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of ScienceRehovoth7610001Israel Department of Physics University of CaliforniaBerkeleyCA94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Kavli Energy NanoSciences Institute at Berkeley University of CaliforniaBerkeleyCA94720USA Department of Mechanical and Industrial Engineering University of Massachusetts AmherstAmherstMA01003USA Materials Science and Engineering Graduate Program University of MassachusettsAmherstAmherstMA01003USA

Accurate prediction of electronic and optical excitations in van der Waals(vdW)materials is a long-standing challenge for density functional *** recent Wannier-localized optimally-tuned screened range-separated hybrid(WOT-SRSH)functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for covalent and ionic ***,for vdW materials the tuning of the material-and structure-dependent functional parameters has only been attained ***,we present a non-empirical WOT-SRSH approach applicable to vdW materials,with the optimal functional parameters transferable between monolayer and *** apply this methodology to prototypical vdW materials:black phosphorus,molybdenum disulfide,and hexagonal boron nitride(in the latter case including zero-point renormalization).We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and many-body perturbation theory(MBPT)calculations for band structures and optical absorption spectra,both on its own and as an optimal starting point for MBPT calculations.

关键词： theory optimal functional

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Impact of Ni doping into Co2SiO4 compound: Synthesis, structural, morphological, dielectric, optical, photoluminescence, and magnetic properties

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Ceramics International 2025年第15期51卷 20839-20853页

作者： Anil Kumar, Bharat Barwar, Abhishek Barbar, Shiv K. Materials Science Laboratory Department of Physics Jai Narain Vyas University Jodhpur342005 India Department of Mechanical Engineering BITS Pilani Rajasthan India

The fabrication and characterization of orthosilicate compounds have received great interest due to their unique optical and magnetic features, and numerous fundamental and technological applications. Herein, a series of Ni doped cobalt orthosilicate compounds, Co2-xNixSiO4 (x = 0.0, 0.1, 0.3 and 0.5) were fabricated via ceramic route by sintering the processed powder at high temperatures. The powder X-ray diffraction results revealed that these compounds crystallize in the orthorhombic symmetry with crystallite size ranging from 29 to 56 nm. Fourier transform infrared and Raman spectra support the phase pure formation of these compounds in the orthorhombic structure. The micro images illustrate a wide range particle size distributions, and elemental analysis affirms the right stoichiometry of these compounds. The dielectric constant and loss angle tangent spectra over the broader frequency range of 101–109 Hz reveal the fundamental polarization and relaxation characteristics of dielectric ceramics. Frequency dependent alternating current electrical conductivity and analysis of UV–Vis reflectance spectra exhibit the wide band gap semiconducting behaviour which establish uses of these compounds in futuristic power electronic module and optoelectronic devices. The fluorescence spectra show a little shift towards the lower wavelength in the emission band by increasing the Ni concentration in the compound. Additionally, the CIE coordinates explain that the blue-violet emission from these compounds, make them useful for cutting edge luminescent devices. Magnetic characterization identified the antiferromagnetic to paramagnetic transition (TN) in these compounds, together with a decrease in TN from 50 K (x = 0.0) to 38 K (x = 0.5). The low temperature (10 K) magnetic hysteresis loops confirm the existence of strong antiferromagnetism with weak ferromagnetism. The presence of two p-type semiconductors (cobalt oxide and nickel oxide) play an important role between magnetic

关键词： Nickel oxide

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