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Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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National Science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li Department of Chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University state Key laboratory of surface physics and Department of physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable ***,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as *** key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon *** mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion *** method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

Pressure-induced color change arising from transformation between intra-and inter-band transitions in LuH_(2±x)N_(y)

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Science China(physics,Mechanics & Astronomy) 2024年第2期67卷 161-166页

作者： Zhe Liu Yingjie Zhang Shenyang Huang Xue Ming Qing Li Chenghao Pan Yaomin Dai Xiaoxiang Zhou Xiyu Zhu Hugen Yan Hai-Hu Wen Center for Superconducting physics and Materials National Laboratory of Solid State Microstructures and Department of PhysicsNational Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China state Key laboratory of surface physics Key Laboratory of Micro and Nano-Photonic Structures of the Ministry of EducationDepartment of PhysicsFudan UniversityShanghai 200433China

The pressure-induced color change in the nitrogen-doped lutetium hydride has triggered extensive discussions about the underlying physics and potential ***,we study the optical response of LuH_(2±x)N_(y)in a broad frequency range at ambient pressure and its evolution with pressure in the visible spectral *** broad-band optical spectra at ambient pressure reveal a Drude component associated with intra-band electronic transitions and two Lorentz components(L1 and L2)arising from inter-band electronic *** application of pressure causes a spectral weight transfer from L1 to the Drude component,leading to a blue shift of the plasma edge in the reflectivity spectrum alongside a reduction of the high-frequency *** results suggest that the pressure-induced color change in LuH_(2±x)N_(y)is closely related to the transformation between intra-and inter-band electronic transitions,providing new insights into the mechanism of the pressure-induced color change in LuH_(2±x)N_(y).

关键词： nitrogen-doped lutetium hydride optical spectroscopy high-pressure technique color change

Cathodic corrosion as a facile and universal method for scalable preparation of powdery single atom electrocatalysts

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Nano Research 2024年第6期17卷 4943-4950页

作者： Rui Li Xiayan Yan Meng Liu Qingkai Zhao Jie Du Xinxin Tan Jingwen Ba Rongguang Zeng Wenhua Luo Jingsong Xu Institute of Materials China Academy of Engineering PhysicsJiangyou 621907China Science and Technology on surface physics and Chemistry laboratory Jiangyou 621908China

Top-down strategy has been widely applied for synthesis of metal single atom catalysts(SACs)via converting metal nanoparticles or bulk metals into atomically dispersed ***,we report a simple electrochemical atomic migration strategy for top-down synthesis of SACs via a facile cathodic corrosion process without involving high temperature or harsh *** of metal nanoparticles on cathode are firstly disbanded under high negative voltage,and emitted into the electrolyte in the form of atomic metal anions in Zintl *** escaped atomically dispersed metal species are then oxidized by water molecules and captured by the defects on the pre-added nitrogen doped carbon carriers in the *** cathodic corrosion strategy is confirmed to be suitable for scalable synthesis of kinds of metal SACs(e.g.,Pt,Pd,and Ir)on doped carbon ***,the as-prepared nitrogen doped carbon powder supported Pt SACs exhibit superior catalytic activity toward hydrogen evolution reaction(HER)with a low overpotential of 0.024 V at 10 mA·cm^(−2)and a low Tafel slope of 29.7 mV·dec^(−1)as well as a long-term durability.

关键词： cathodic corrosion top-down strategy powdery single atom catalysts hydrogen evolution reaction scalable synthesis

A graph neural network approach to the inverse design for thermal transparency with periodic interparticle system

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Chinese physics B 2024年第8期33卷 295-303页

作者：刘斌王译浠 Department of Electronic Information and Artificial Intelligence LeShan Normal UniversityLeShan 614099China Department of physics State Key Laboratory of Surface Physicsand Key Laboratory of Micro and Nano Photonic Structures(MOE)Fudan UniversityShanghai 200438China

Recent years have witnessed significant advances in utilizing machine learning-based techniques for thermal metamaterial-based structures and devices to attain favorable thermal transport *** the various thermal transport behaviors,achieving thermal transparency stands out as particularly desirable and *** earlier work demonstrated the use of a thermal metamaterial-based periodic interparticle system as the underlying structure for manipulating thermal transport behavior and achieving thermal *** this paper,we introduce an approach based on graph neural network to address the complex inverse design problem of determining the design parameters for a thermal metamaterial-based periodic interparticle system with the desired thermal transport *** work demonstrates that combining graph neural network modeling and inference is an effective approach for solving inverse design problems associated with attaining desirable thermal transport behaviors using thermal metamaterials.

关键词： thermal metamaterial thermal transparency inverse design machine learning graph neural net-work

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Universal Machine Learning Kohn–Sham Hamiltonian for Materials

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Chinese physics Letters 2024年第7期41卷 95-110页

作者：钟阳于宏宇杨吉辉郭星宇向红军龚新高 Key laboratory of Computational Physical Sciences(Ministry of Education) Institute of Computational Physical SciencesState Key Laboratory of Surface Physicsand Department of PhysicsFudan UniversityShanghai 200433China Shanghai Qi Zhi Institute Shanghai 200030China

While density functional theory(DFT)serves as a prevalent computational approach in electronic structure calculations,its computational demands and scalability limitations ***,leveraging neural networks to parameterize the Kohn-Sham DFT Hamiltonian has emerged as a promising avenue for accelerating electronic structure *** advancements,challenges such as the necessity for computing extensive DFT training data to explore each new system and the complexity of establishing accurate machine learning models for multi-elemental materials still *** these hurdles,this study introduces a universal electronic Hamiltonian model trained on Hamiltonian matrices obtained from first-principles DFT calculations of nearly all crystal structures on the Materials *** demonstrate its generality in predicting electronic structures across the whole periodic table,including complex multi-elemental systems,solid-state electrolytes,Moir´e twisted bilayer heterostructure,and metal-organic ***,we utilize the universal model to conduct high-throughput calculations of electronic structures for crystals in GNoME datasets,identifying 3940 crystals with direct band gaps and 5109 crystals with flat *** offering a reliable efficient framework for computing electronic properties,this universal Hamiltonian model lays the groundwork for advancements in diverse fields,such as easily providing a huge data set of electronic structures and also making the materials design across the whole periodic table possible.

关键词： Hamiltonian utilize twisted

Tunable quantum anomalous Hall effects in ferromagnetic van der Waals heterostructures

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National Science Review 2024年第3期11卷 100-107页

作者： Feng Xue Yusheng Hou Zhe Wang Zhiming Xu Ke He Ruqian Wu Yong Xu Wenhui Duan Beijing Academy of Quantum Information Sciences state Key laboratory of Low Dimensional Quantum physics Department of Physics Tsinghua University Guangdong Provincial Key laboratory of Magnetoelectric physics and Devices Center for Neutron Science and Technology School of Physics Sun Yat-sen University state Key laboratory of surface physics Key Laboratory of Computational Physical Sciences and Department of PhysicsFudan University Frontier Science Center for Quantum Information Department of physics and Astronomy University of California-Irvine Tencent Quantum laboratory Tencent Technology(Shenzhen)Co.Ltd RIKEN Center for Emergent Matter Science(CEMS) Institute for Advanced Study Tsinghua University

The quantum anomalous Hall effect（QAHE） has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that the in-plane magnetization induced QAHE with Chern numbers C = ±1 and the out-of-plane magnetization induced QAHE with high Chern numbers C = ±3 can be realized in a single material candidate, which is composed of van der Waals（vdW）coupled Bi and MnBi2Te4monolayers. The switching between different phases of QAHE can be controlled in multiple ways, such as applying strain or（weak） magnetic field or twisting the vdW materials. The prediction of an experimentally available material system hosting robust, highly tunable QAHE will stimulate great research interest in the field. Our work opens a new avenue for the realization of tunable QAHE and provides a practical material platform for the development of topological electronics.

关键词： quantum anomalous Hall effect topological quantum phase transition van der Waals heterostructures tunable Chern number high Chern number

Observation of accurately designed bound states in the continuum in momentum space

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Photonics Research 2024年第4期12卷 638-647页

作者： JIAJU WU JINGGUANG CHEN XIN QI ZHIWEI GUO JIAJUN WANG FENG WU YONG SUN YUNHUI LI HAITAO JIANG LEI SHI JIAN ZI HONG CHEN MOE Key laboratory of Advanced Micro-Structured Materials School of Physics Science and EngineeringTongji UniversityShanghai 200092China state Key laboratory of surface physics Key Laboratory of Micro-and Nano-Photonic Structures(Ministry of Education)and Department of PhysicsFudan UniversityShanghai 200433China School of Optoelectronic Engineering Guangdong Polytechnic Normal UniversityGuangzhou 510665China

Bound states in the continuum(BICs)in artificial photonic structures have received considerable attention since they offer unique methods for the extreme field localization and enhancement of light-matter ***,the symmetry-protected BICs are located at high symmetric points,while the positions of accidental BICs achieved by tuning the parameters will appear at some points in momentum *** to now,to accurately design the position of the accidental BIC in momentum space is still a ***,we theoretically and experimentally demonstrate an accurately designed accidental BIC in a two-coupled-oscillator system consisting of bilayer gratings,where the optical response of each grating can be described by a single resonator *** changing the interlayer distance between the gratings to tune the propagation phase shift related to wave vectors,the position of the accidental BIC can be arbitrarily controlled in momentum ***,we present a general method and rigorous numerical analyses for extracting the polarization vector fields to observe the topological properties of BICs from the polarization-resolved transmission ***,an application of the highly efficient second harmonic generation assisted by quasi-BIC is *** work provides a straightforward strategy for manipulating BICs and studying their topological properties in momentum space.

关键词： polarization tuning resonator

Realization of skyrmion shift register

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Science Bulletin 2024年第15期69卷 2370-2378页

作者： Le Zhao Chensong Hua Chengkun Song Weichao Yu Wanjun Jiang state Key laboratory of Low-Dimensional Quantum physics and Department of physics Tsinghua UniversityBeijing 100084China Frontier Science Center for Quantum Information Tsinghua UniversityBeijing 100084China state Key laboratory of surface physics and Institute for Nanoelectronic Devices and Quantum Computing Fudan UniversityShanghai 200433China Zhangjiang Fudan International Innovation Center Fudan UniversityShanghai 201210China

The big data explosion demands novel data storage technology. Among many different approaches, solitonic racetrack memory devices hold great promise for accommodating nonvolatile and low-power functionalities. As representative topological solitons, magnetic skyrmions are envisioned as potential information carriers for efficient information processing. While their advantages as memory and logic elements have been vastly exploited from theoretical perspectives, the corresponding experimental efforts are rather limited. These challenges, which are key to versatile skyrmionic devices, will be studied in this work. Through patterning concaved surface topography with designed arrays of indentations on standard Si/SiO_(2) substrates, we demonstrate that the resultant non-flat energy landscape could lead to the formation of hexagonal and square skyrmion lattices in Ta/CoFeB/MgO multilayers. Based on these films, one-dimensional racetrack devices are subsequently fabricated, in which a long-distance deterministic shifting of skyrmions between neighboring indentations is achieved at room temperature. Through separating the word line and the bit line, a prototype shift register device, which can sequentially generate and precisely shift complex skyrmionic data strings, is presented. The deterministic writing and longdistance shifting of skyrmionic bits can find potential applications in transformative skyrmionic memory,logic as well as the in-memory computing devices.

关键词： Skyrmions Racetrack memory Spintronics surface-topography Indentations

Spatial search weighting information contained in cell velocity distribution

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Chinese physics B 2024年第2期33卷 522-528页

作者：马一凯李娜陈唯 state Key laboratory of surface physics and Department of physics Fudan UniversityShanghai 200438China China National Center for Bioinformation Beijing 100101China National Genomics Data Center Beijing Institute of GenomicsChinese Academy of SciencesBeijing 100101China

Cell migration plays a significant role in physiological and pathological *** the characteristics of cell movement is crucial for comprehending biological processes such as cell functionality,cell migration,and cell–cell *** of the fundamental characteristics of cell movement is the specific distribution of cell speed,containing valuable information that still requires comprehensive *** article investigates the distribution of mean velocities along cell trajectories,with a focus on optimizing the efficiency of cell food search in the context of the entire *** confirm that the specific velocity distribution in the experiments corresponds to an optimal search efficiency when spatial weighting is *** simulation results indicate that the distribution of average velocity does not align with the optimal search efficiency when employing average spatial ***,when considering the distribution of central spatial weighting,the specific velocity distribution in the experiment is shown to correspond to the optimal search *** simulations reveal that for any given distribution of average velocity,a specific central spatial weighting can be identified among the possible central spatial weighting that aligns with the optimal search ***,our work presents a method for determining the spatial weights embedded in the velocity distribution of cell *** results have provided new avenues for further investigation of significant topics,such as relationship between cell behavior and environmental conditions throughout their evolutionary history,and how cells achieve collective cooperation through cell-cell communication.

关键词： cell migration foraging efficiency random walk spatial search weight