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Stacking effects on magnetic, vibrational, and optical properties of CrSBr bilayers

Physical Review B 2025年第12期111卷 125411-125411页

作者： Huicong Li Yali Yang Zhonghao Xia Yateng Wang Jiacheng Wei Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science The State Key Laboratory for Advanced Metals and Materials School of Mathematics and Physics University of Science and Technology Beijing Beijing 100083 China

Layer stacking presents a promising avenue for manipulating the physical properties of two-dimensional materials. The van der Waals layered semiconductor CrSBr, which exhibits A-type antiferromagnetism and a relatively high Néel temperature, has been successfully exfoliated into atomically thin sheets. In this paper, we investigate the structural, lattice dynamical, electronic, magnetic, and optical properties of four distinct stacking structures of CrSBr bilayers using first-principles calculations and Monte Carlo simulations. Our findings show that, though the most energetically favorable bilayer structure retains the stacking pattern of the bulk counterpart, three other high-symmetry stacking structures can be achieved by sliding one of the layers along three distinct directions, with energy cost comparable to that observed in MoS2 bilayer. All these four bilayers exhibit semiconductor behavior with A-type antiferromagnetic ordering, similar to the bulk material, and demonstrate closely aligned Néel temperatures. Moreover, these bilayers exhibit relatively low lattice thermal conductivities, pronounced anisotropy, and a strong dependence on stacking patterns. This behavior is attributed to significant phonon-phonon scattering arising from avoided crossings between acoustic and optical phonons, as well as the presence of flat optical phonon bands in the low-frequency region. While the electronic structures and optical properties of these bilayers show weak dependence on the stacking pattern for antiferromagnetic ordering, they undergo significant changes for ferromagnetic ordering, influencing the band gap, valence and conduction band splitting, and effective mass. Furthermore, we found that antiferromagnetic ordering can transition to ferromagnetic under intense light illumination. Thus, the integration of layer stacking and light illumination offers an effective means to control the heat transfer, magnetic, and optical properties of CrSBr bilayers.

关键词： Layered semiconductors

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Short-Time Annealing Enhancing the Magnetic Properties and Microstructure Uniformity of Melt-Spun (Nd, Pr)–Fe-B Ribbons

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IEEE Transactions on Magnetics 2025年第5期61卷 1-1页

作者： Liu, Lin Li, Yuqing Wang, Jinjin Liu, Lingqi Bian, Mengying Zhang, Hongguo Yue, Ming Beijing University of Technology College of Materials Science and Engineering Key Laboratory of Advanced Functional Materials Ministry of Education of China Beijing100124 China

Melt spinning is an effective method for preparing nanocrystalline permanent magnet materials. During the rapid-quenching process, uneven undercooling can easily lead to uneven distribution between the ribbons. Due to the difference in cooling speed between the roller surface and the free surface, the microstructure in one ribbon is also uneven. In this work, to solve the problem of poor uniformity of the melt-spun (Nd, Pr)–Fe-B ribbons obtained by direct rapid quenching, appropriate short-time annealing had been implemented. The microstructure and magnetic properties of the melt-spun (Nd, Pr)–Fe-B ribbons before and after annealing showed a significant improvement in the uniformity. The improvement of uniformity could be beneficial for the application of melt-spun powders in bonded magnets and hot-deformed magnets, enhancing the magnetic properties of the related products. © 1965-2012 IEEE.

关键词： Microstructure

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Electromagnetic Functions Modulation of Recycled By-Products by Heterodimensional Structure

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Nano-Micro Letters 2025年第6期17卷 264-278页

作者： Ze Nan Wei Wei Zhenhua Lin Ruimei Yuan Miao Zhang Jincheng Zhang Jianyong Ouyang Jingjing Chang Hejun Li Yue Hao State Key Laboratory of Wide-Bandgap Semiconductor Devices and Integrated Technology School of MicroelectronicsXidian UniversityXi’an 710071People’s Republic of China State Key Laboratory of Solidification Processing Shaanxi Province Key Laboratory of Fiber Reinforced Light Composite MaterialsCarbon/Carbon Composites Research CenterNorthwestern Polytechnical UniversityXi’an 710072People’s Republic of China Advanced Interdisciplinary Research Center for Flexible Electronics Xidian UniversityXi’an 710071People’s Republic of China Department of Materials Science and Engineering National University of Singapore7 Engineering Drive 1Singapore 117574Singapore

One of the significant technological challenges in safeguarding electronic devices pertains to the modulation of electromagnetic(EM)wave jamming and the recycling of defensive *** synergistic effect of heterodimensional materials can effectively enable the manipulation of EM waves by altering the *** we propose a novel approach for upcycling by-products of silver nanowires that can fabricate shape-tunable aerogels which enable the modulation of its interaction with microwaves by heterodimensional structure of ***-product heterodimensionality was used to design EM-wave-jamming-dissipation structures and therefore two typical tunable aerogel forms were *** first tunable form was aerogel film,which shielded EM interference(EMI shielding effectiveness(EMI SE)>89 dB)and the second tunable form was foam,which performed dual EM functions(SE>30 dB&reflective loss(RL)<-35 dB,effective absorption bandwidth(EAB)>6.7 GHz).We show that secondary recycled aerogels retain nearly all of their EM protection properties,making this type of closed-loop cycle an appealing *** findings pave the way for the development of adaptive EM functions with nanoscale regulation in a green and closed-loop cycle,and they shed light on the fundamental understanding of microwave interactions with heterodimensional structures.

关键词： Silver nanowires Electromagnetic shielding Microwave absorption Recycled aerogels

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Transition metal-based cathode catalysts for Li-CO2 batteries

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Journal of Energy Chemistry 2025年第05期104卷 225-253页

作者： Wenqing Ma Mingjuan Gao Jianping Ma Siyu Liu Lishan Yang Yahui Yang Xiangping Chen Tianzhen Jian Institute for Advanced Interdisciplinary Research (iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of Shandong School of Chemistry and Chemical Engineering University of Jinan State Key Laboratory of Crystal Materials Shandong University Shandong Sacred Sun Power Sources Co.Ltd. Nano-Science Center & Department of Chemistry University of Copenhagen Key Laboratory of Chemical Biology & Traditional Chinese Medicine Research (Ministry of Education of China) National and Local Joint Engineering Laboratory for New Petrochemical Materials and Fine Utilization of Resources Key Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan Province Key Laboratory of Light Energy Conversion Materials of Hunan Province College Hunan Normal University Jinan Preschool Education College

The Li-CO2battery has been highly rated as an intriguing technique for balancing the carbon cycle for years, but it is still significantly challenged by the obstacles such as limited reversibility, sluggish kinetics,and poor energy efficiency. Hence, the design and development of advance catalysts that can enhance the kinetics and reversibility of the CO2electrochemical cycling reactions are considered the imperative tasks. Transition metal-based catalysts are widely considered appealing owing to their unfilled dorbitals, rich and adjustable valences, as well as processibility. In this review, the working mechanism and the key issues of the CO2electrochemical cycling reaction are discussed first. Then the strategies for composition and structure design of different type of transition metal-based catalysts are highlighted,including their benefits, limitations, and the ways to implement these strategies. Finally, based on the pioneering research, the perspectives on the challenges and key points for the future development of cathode catalyst are proposed.

关键词： Catalytic mechanism Cathode catalyst Li-CO2 battery Transition metal

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The impact of sample misalignment and overlap on high-resolution quantification of 2D-metal heterostructures

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Micron 2025年 192-193卷 103813页

作者： Zhu, Yuchen Wang, Rongming Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science The State Key Laboratory for Advanced Metals and Materials University of Science and Technology Beijing Beijing100083 China

Precise atomic-scale fabrication of two-dimensional (2D) semiconductor metal heterostructures necessitates an in-depth understanding of their surface atomic arrangements, interfacial atomic configurations, and electronic state. The foundation for achieving this understanding lies in the accurate characterization of these heterostructures. Aberration-corrected transmission electron microscopy (ACTEM) is capable of simultaneously obtaining critical information regarding atomic arrangements, electronic states, and elemental distributions at the atomic scale, making it widely utilized for the analysis and characterization of heterostructures. However, the accuracy of ACTEM can be compromised by sample overlaps in high-resolution images, a challenge particularly pronounced in 2D-semiconductor-metal heterostructures. To address this, we selected Pt-MoS₂ as a model system and systematically investigated the effects of misalignment and sample overlap on quantitative electron microscopy analysis of two-dimensional semiconductor heterostructures through high-resolution image simulations. Our findings reveal that even small misalignments (5 %) in high-resolution TEM (HRTEM) image. Notably, the apparent strain from potential function overlap remains within an acceptable range only when the relative thickness ratio of metal to 2D substrate exceeds a certain threshold, improving the reliability of direct quantitative analysis of HRTEM images. Additionally, we applied a digital dark-field method that effectively mitigates the influence of the substrate on metal atomic column contrasts, thus improving the accuracy of quantitative analysis in HRTEM images. Collectively, these results provide a deeper understanding of the heterostructure imaging and the precise characterization of the 2D-material-metal heterostructure. © 2025 Elsevier Ltd

关键词： High resolution transmission electron microscopy

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CFGLSs: Conformal filling gradient lattice structures designed by multiscale isogeometric topology optimization for 3D swept volume

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Computer Methods in Applied Mechanics and Engineering 2025年 442卷

作者： Zhou, Sheng Tao, Ran Sun, Qidong Institute of Advanced Structure Technology Beijing Institute of Technology Beijing 100081 China Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures Beijing Institute of Technology Beijing 100081 China

3D swept volume, enabled by advancements in additive manufacturing, present new opportunities for lightweight and functional optimization. However, efficient design methodologies for conformal filling gradient lattice structures (CFGLSs) remain scarce. This paper proposes a modified level set function (MLSF) that matches lattice structures to the geometry of 3D swept volume. Furthermore, a multiscale isogeometric topology optimization (MITO) approach is used to adaptively optimize the distribution of graded lattices, ensuring optimal integration. A surrogate constitutive model is developed using polynomial interpolation in conjunction with the MLSF and the homogenization method. Incorporating the surrogate constitutive model into the MITO, the relative density distribution of the swept volume is obtained. Continuous CFGLSs are generated using the updated MLSF method, with the equivalent density distribution guiding the simultaneous optimization of both the micro-scale lattice geometry and its macro-scale distribution. The proposed approach is validated through the design, fabrication, and experimental evaluation of semi-circular specimens and engineering rudders, exhibiting its effectiveness and practicality. © 2025

关键词： Crystal lattices

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FRET endows rare earth Eu(Ⅲ) complex with stable ultra-dissymmetry and narrowband circularly polarized luminescence

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science China materials 2025年第3期68卷 879-887页

作者： Yiran Ren Zhi Chen Honglong Hu Zixuan Zhang Bo Yang Zhigang Zheng Zhen-Qiang Yu Xiaopeng Li Wei-Hong Zhu Yue Wu College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen 518071China Shanghai Key Laboratory of Functional Materials Chemistry Key Laboratory for Advanced Materials and Institute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China School of Physics East China University of Science and TechnologyShanghai 200237China

Narrowband circularly polarized luminescence(CPL)is a crucial parameter for high color purity display but rarely ***,it is rather challenging and significant to provide a route towards high-dissymmetry CPL with both persistent chiroptical stability and narrowband *** possessing a very narrowband emission and excitation from the unique f-f transition of electrons,the chiral rare earth complexes often racemize with the low inversion barrier,resulting in an undesirable decrease of CPL ***,we report a circularly polarized Foster resonance energy transfer(C-FRET)in a liquid crystal(LC)coassembly that contains axially chiral alkoxy binaphthyl(R/S-BN)as donor and narrowband emission-featured rare earth Eu(Ⅲ)complex(EuOL)as *** highly ordered helical superstructures enable achiral EuOL to emit ultra-dissymmetric CPL,accompanying with a high dissymmetry factor up to 1.44 from LC microcavity *** EuOL@R/S-BN exhibits extremely CPL narrowband with full width at half maximum of 10.8 *** with the direct excitation,the specific C-FRET strategy in LC coassembly can indirectly emit the highly dissymmetric and narrowband CPL,and completely overcome the CPL weakness from the essential chiral racemization of rare earth Eu(Ⅲ)*** LC C-FRET strategy can guarantee the chiroptical stability,high dissymmetry and narrowband emission,which is anticipated to put forward a new route toward the further utilization of rare earth and advanced display technology.

关键词： circularly polarized luminescence FRET liquid crystal narrowband rare earth luminescence

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A Scalable Strategy of "Ball-Milling-Assisted Laser Scanning Method" to Achieve Cr2Ni3 Catalyst: An Unprecedented Robust Anode for Oxygen Evolution Reaction

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ChemSusChem 2025年第0期 e202500140页

作者： Ren, Yingli Su, Mingyu Zhu, Shengli Cui, Zhenduo Li, Zhaoyang Wu, Shuilin Xu, Wence Gao, Zhonghui Liang, Yanqin Ma, Lili Jiang, Hui School of Materials Science and Engineering Tianjin University Tianjin300350 China Tianjin Key Laboratory of Composite and Functional Materials Tianjin300350 China Ministry of Education Key Laboratory of Advanced Ceramics and Machining Technology Tianjin300350 China School of Materials Science & Engineering Peking University Beijing100871 China

Industrial water-alkali splitting is facing high energy consumption due to the high overpotential of commercial Ni mesh anode in oxygen evolution reaction (OER) processing. Herein, a simple ball-milling-assisted laser scanning strategy was employed to introduce the hardest Lewis acid chromium (Cr) into the Ni matrix to form Cr2Ni3 catalysts supported by Ni mesh, endowing such NiCr/Ni mesh anode a robust OER performance at a low-cost. It is shown that facilitating the self-adsorption of oxygen species and promoting the leaching of soluble Cr cations aids in reconstructing Ni cations into active (oxy)hydroxide species. This study explores the innovative development of Cr-doped NiCr/Ni mesh catalysts to create porous NiCr/Ni alloys with Cr2Ni3 as the active phase. The optimal Ni0.5Cr0.5-NM electrode demonstrates ultra-low overpotentials of 293 mV and 321 mV at 50 and 100 mA cm−2, respectively, while maintaining excellent stability for over 100 hours at 100 mA cm−2. This work provides insight into the batch fabrication of customized OER anodes for sustainable hydrogen production. © 2025 Wiley-VCH GmbH.

关键词： Milling (machining)

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Direct Observation of Early-Stage Polymer Crystallization Driven by Surface Wrinkling and Compressive Stress in Thin Films

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Chinese Journal of Polymer science 2025年第2期43卷 360-367页

作者： Peng Zhang Stephan V.Roth Peter Muller-Buschbaum Tian-Bai He School of Materials Science and Engineering Key Laboratory for Polymeric Composite and Functional Materials of Ministry of EducationInstitute of Green Chemistry and Molecular EngineeringSun Yat-sen UniversityGuangzhou510275China Deutsches Elektronen-Synchrotron(DESY) Notkestrasse 8522607HamburgGermany Department of Fibre and Polymer Technology KTH Royal Institute of TechnologyTeknikringen 56-58StockholmSE-10044Sweden TUM School of Natural Sciences Department of PhysicsChair for Functional MaterialsTechnical University of MunichJames-Franck-Str.1Garching85748Germany Heinz Maier-Leibnitz-Zentrum(MLZ) Technical University of MunichLichtenbergstr.1Garching85748Germany State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryGraduate University of Chinese Academy of SciencesChinese Academy of SciencesChangchun130022China

The early stages of crystallization and occurrence of surface wrinkling were investigated using poly(butadiene)-block-poly(ε-caprolactone)with an ordered lamellar *** evidence has demonstrated that surface wrinkling precedes nucleation and crystal *** study examined the relationship between surface wrinkling,nucleation,and the formation of crystalline supramolecular structures using atomic force microscopy(AFM)and X-ray scattering *** wrinkling is attributed to curving induced by accumulated stresses,including residual stress from the sample preparation and thermal stress during *** stresses cause large-scale material flow and corresponding changes in the molecular conformations,potentially reducing the nucleation *** hypothesis is supported by the rapid crystal growth observed following the spread of surface ***,the surface curving of the polymer thin film creates local minima of the free energy,facilitating *** nuclei subsequently grow into crystalline supramolecular structures by incorporating polymer molecules from the *** mechanism highlights the role of localized structural inhomogeneity in the early stages of crystallization and provides new insights into structure formation processes.

关键词： Polymer crystallization Nucleation Surface wrinkling Stress Thin film

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Integration of Electrical Properties and Polarization Loss Modulation on Atomic Fe–N‑RGO for Boosting Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第2期17卷 517-532页

作者： Kaili Zhang Yuefeng Yan Zhen Wang Guansheng Ma Dechang Jia Xiaoxiao Huang Yu Zhou State Key Laboratory of Precision Welding&Joining of Materials and Structures Harbin Institute of TechnologyHarbin 150001People’s Republic of China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001People’s Republic of China MIIT Key Laboratory of Advanced Structural‑Functional Integration Materials&Green Manufacturing Technology Harbin Institute of TechnologyHarbin 150001People’s Republic of China

Developing effective strategies to regulate graphene’s conduction loss and polarization has become a key to expanding its application in the electromagnetic wave absorption(EMWA)*** on the unique energy band structure of graphene,regulating its bandgap and electrical properties by introducing heteroatoms is considered a feasible ***,metal-nitrogen doping reduced graphene oxide(M–N-RGO)was prepared by embedding a series of single metal atoms M–N_(4) sites(M=Mn,Fe,Co,Ni,Cu,Zn,Nb,Cd,and Sn)in RGO using an N-coordination atom-assisted *** composites had adjustable conductivity and polarization to optimize dielectric loss and impedance matching for efficient EMWA *** results showed that the minimum reflection loss(RL_(min))of Fe–N-RGO reaches−74.05 dB(2.0 mm)and the maximum effective absorption bandwidth(EAB_(max))is 7.05 GHz(1.89 mm)even with a low filler loading of only 1 wt%.Combined with X-ray absorption spectra(XAFS),atomic force microscopy,and density functional theory calculation analysis,the Fe–N_(4) can be used as the polarization center to increase dipole polarization,interface polarization and defect-induced polarization due to d-p orbital hybridization and structural ***,electron migration within the Fe further leads to conduction loss,thereby synergistically promoting energy *** study demonstrates the effectiveness of metal-nitrogen doping in regulating the graphene′s dielectric properties,which provides an important basis for further investigation of the loss mechanism.

关键词： Electromagnetic wave absorption Fe-N-RGO Dipole polarization Conduction loss Impedance matching

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