检索结果-南通市图书馆

Tunable quantum anomalous Hall effects in ferromagnetic van der Waals heterostructures

在线全文

学校读者我要写书评

暂无评论

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

Enhancement of Ising superconductivity in monolayer NbSe_(2) via surface fluorination

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science china(Technological Sciences) 2024年第7期67卷 2099-2106页

作者： WU JiZheng SHI WuJun WANG Chong DUAN WenHui XU Yong SI Chen School of materials Science and Engineering Beihang UniversityBeijing 100191China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China Shanghai High Repetition Rate XFEL and Extreme Light Facility(SHINE) ShanghaiTech UniversityShanghai 201210China State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijing 100084China Frontier Science Center for Quantum Information Beijing 100084China

Recently discovered Ising superconductors have garnered considerable interest due to their anomalously large in-plane upper critical fields(B_(c2)). However, the requisite strong spin-orbital coupling in the Ising pairing mechanism generally renders these superconductors heavy-element dominant with notably low superconducting transition temperatures(Tc). Here, based on the Migdal-Eliashberg theory and the mean-field Bogoliubov-de Gennes Hamiltonian, we demonstrate a significant enhancement of Ising superconductivity in monolayer NbSe_(2) through surface fluorination, as evidenced by concomitant improvements in Tcand Bc_(2). This enhancement arises from three predominant factors. Firstly, fluorine atoms symmetrically and stably adhere to both sides of the monolayer NbSe_(2), thereby maintaining the out-of-plane mirror symmetry and locking carrier spins ***, fluorination suppresses the charge density wave in monolayer NbSe_(2) and induces a van Hove singularity in the vicinity of the Fermi level, leading to a marked increase in the number of carriers and, consequently, strengthening the electron-phonon coupling(EPC). Lastly, the appearance of fluorine-related, low-frequency phonon modes further augments the EPC. Our findings suggest a promising avenue to elevate Tcin two-dimensional Ising superconductors without compromising their Ising pairing.

关键词： Ising superconductivity surface functionalization upper critical field NbSe_(2) first-principles calculations

Considerations of advanced aqueous batteries recycling:A perspective

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2024年第6期93卷 46-54,I0002页

作者： Yun Zhao Yuqiong Kang Hao Du Feiyu Kang Baohua Li Institute of materials Research Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055GuangdongChina

*** Battery technology,serving as a basis for a rechargeable society,has developed rapidly over a century[1].The progress can be roughly divided into three stages,with the initial two mainly focusing on aqueous battery *** to 1859,research primarily focused on the conceptualization of batteries and the development of primary(non-rechargeable)cells[2].In the subsequent150 years,rechargeable battery technology emerged。

关键词： battery Battery primarily

Universal materials model of deep-learning density functional theory Hamiltonian

在线全文

学校读者我要写书评

暂无评论

Science Bulletin 2024年第16期69卷 2514-2521页

作者： Yuxiang Wang Yang Li Zechen Tang He Li Zilong Yuan Honggeng Tao Nianlong Zou Ting Bao Xinghao Liang Zezhou Chen Shanghua Xu Ce Bian Zhiming Xu Chong Wang Chen Si Wenhui Duan Yong Xu State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijing 100084China Institute for Advanced Study Tsinghua UniversityBeijing 100084China Frontier Science Center for Quantum Information Beijing 100084China RIKEN Center for Emergent Matter Science(CEMS) Wako 351-0198Japan School of materials Science and Engineering Beihang UniversityBeijing 100191China

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence,but how to achieve this fantastic and challenging objective remains ***,we propose a feasible pathway to address this paramount pursuit by developing universal materials models of deep-learning density functional theory Hamiltonian(Deep H),enabling computational modeling of the complicated structure-property relationship of materials in *** constructing a large materials database and substantially improving the Deep H method,we obtain a universal materials model of Deep H capable of handling diverse elemental compositions and material structures,achieving remarkable accuracy in predicting material *** further showcase a promising application of fine-tuning universal materials models for enhancing specific materials *** work not only demonstrates the concept of Deep H's universal materials model but also lays the groundwork for developing large materials models,opening up significant opportunities for advancing artificial intelligencedriven materials discovery.

关键词： Large materials model Universal materials model Deep-learning density functional theory Artificial intelligence-driven materials discovery

Machine learning predicts atomistic structures of multielement solid surfaces for heterogeneous catalysts in variable environments

在线全文

学校读者我要写书评

暂无评论

The Innovation 2024年第2期5卷 79-87页

作者： Huan Ma Yueyue Jiao Wenping Guo Xingchen Liu Yongwang Li Xiaodong Wen State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China University of Chinese Academy of Sciences Beijing 100049China national Energy Center for Coal to Liquids Synfuels China Co.Ltd.Beijing 101400China Beijing Advanced Innovation Center for materials genome Engineering IndustryUniversity Cooperation Base between Beijing Information S&T University and Synfuels China Co.Ltd.Beijing 100101China

Solid surfaces usually reach thermodynamic equilibrium through particle exchange with their environment under reactive conditions.A prerequisite for understanding their functionalities is detailed knowledge of the surface composition and atomistic geometry under working *** to the large number of possible Miller indices and terminations involved in multielement solids,extensive sampling of the compositional and conformational space needed for reliable surface energy estimation is beyond the scope of ab initio ***,we demonstrate,using the case of iron carbides in environments with varied carbon chemical potentials,that the stable surface composition and geometry of multielement solids under reactive conditions,which involve large compositional and conformational spaces,can be predicted at ab initio accuracy using an approach that combines the bond valence model,Gaussian process regression,and ab initio *** the atomistic structure of surfaces under working conditions paves the way toward identifying the true active sites of multielement catalysts in heterogeneous catalysis.

关键词： surfaces solids environments

Electron transport properties of TiO_2 shell on Al_2O_3 core in dye-sensitized solar cells

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics B 2018年第1期27卷 87-91页

作者：解东梅唐小文林原马品周晓文 Beijing national laboratory for Molecular Sciences Key Laboratory of PhotochemistryCAS Research/Education Center for Excellence in Molecular SciencesInstitute of Chemistry Chinese Academy of Sciences University of Chinese Academy of Sciences

The performance of dye-sensitized solar cells （DSSCs） is strongly affected by the properties of semiconductor nanoparticles. In this work, we used TiO2 particles prepared by TiC14 hydrolysis n times on A1203 films （A/T（n））, and investigated morphology, photoelectric, and electron transport properties of A/T（n）. The TiO2 shell was composed of 10-20 nm nanoparticles and the number of nanoparticles increased with increasing TIC14 treatment times. The highest photoelectric conversion efficiency of 3.23% was obtained as A/T（4）. IMPS results indicated that electron transport rate was high enough to conduct current, and was not the dominating effect to limit the Jsc. Jsc was mainly determined by dye loading on TiO2 and the interconnection of TiO2. These may provide a new strategy for preparing semiconductor working electrodes for DSSC.

关键词： dye-sensitized solar cell electron transportation core-shell structure intensity-modulated pho-tocurrent spectroscopy

Neutron-based characterization techniques for lithium-ion battery research

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2020年第1期29卷 40-61页

作者： Enyue Zhao Zhi-Gang Zhang Xiyang Li Lunhua He Xiqian Yu Hong Li Fangwei Wang Songshan Lake materials Laboratory Dongguan 523808China Beijing national Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 101408China china Spallation Neutron Source(CSNS) Dongguan 523808China

During the past decades,Li-ion batteries have been one of the most important energy storage ***-scale energy storage requires Li-ion batteries which possess high energy density,low cost,and high *** than advanced battery materials,in-depth understanding of the intrinsic mechanism correlated with cell reaction is also essential for the development of high-performance Li-ion *** characterization techniques,especially neutron-based techniques,have greatly promoted Li-ion battery *** this review,the characteristics or capabilities of various neutron-based characterization techniques,including elastic neutron scattering,quasi-elastic neutron scattering,neutron imaging,and inelastic neutron scattering,for the related Li-ion-battery researches are *** design of in-situ/operando environment is also *** comprehensive survey on neutron-based characterizations for mechanism understanding will provide guidance for the further study of high-performance Li-ion batteries.

关键词： Li-ion battery neutron scattering characterization technique

Recently developed strategies to restrain dendrite growth of Li metal anodes for rechargeable batteries

在线全文

学校读者我要写书评

暂无评论

Rare Metals 2020年第6期39卷 616-635页

作者： Kai-Chao Pu Xin Zhang Xiao-Lei Qu Jian-Jiang Hu Hai-Wen Li Ming-Xia Gao Hong-Ge Pan Yong-Feng Liu State Key Laboratory of Silicon materials and School of materials Science and Engineering Zhejiang UniversityHangzhou 310027China School of Chemistry and Chemical Engineering Yantai UniversityYantai 264005China Platform of Inter/Transdisciplinary Energy Research(Q-PIT) International Research Center for Hydrogen EnergyInternational Institute for Carbon-Neutral Energy Research(I2CNER)Kyushu University744 MotookaNishi-kuFukuoka 819-0395Japan

Lithium metal has been regarded as one of the most promising anode materials for high-energy-density batteries due to its extremely high theoretical gravimetric capacity of 3860 mAh·g^-1 along with its low electrochemical potential of-3.04 ***,uncontrollable Li dendrite growth and repetitive destruction/formation of the solid electrolyte interphase layer lead to poor safety and low Coulombic efficiencies(CEs)for long-term utilization,which largely restricts the practical applications of lithium metal *** this review,we comprehensively summarized important progresses achieved to date in suppressing Li dendrite *** for protection of Li metal anodes include designing porous structured hosts,fabricating artificial solid electrolyte interface(SEI)layers,introducing electrolyte additives,using solid-state electrolytes and applying external *** protection of Li metal anodes can be achieved by regulating the stripping and deposition behaviours of Li ***,the challenges remaining for lithium metal battery systems and future perspectives for Li metal anodes in practical applications are outlined,which are expected to shed light on future research in this field.

关键词： Rechargeable batteries Anode materials Lithium metal Dendrite growth Coulombic efficiency

Using support vector machine for materials design

在线全文

学校读者我要写书评

暂无评论

Advances in Manufacturing 2013年第2期1卷 151-159页

作者： Wen-Cong Lu Xiao-Bo Ji Min-Jie Li Liang Liu Bao-Hua Yue Liang-Miao Zhang Department of Chemistry College of SciencesShanghai University

materials design is the most important and fundamental work on the background of materials genome initiative for global competitiveness proposed by the national Science and Technology Council of America. As far as the methodologies of materials design, besides the thermodynamic and kinetic methods combing databases, both deductive approaches so-called the first principle methods and inductive approaches based on data mining methods are gaining great progress because of their suc- cessful applications in materials design. In this paper, support vector machine （SVM）, including support vector classification （SVC） and support vector regression （SVR） based on the statistical learning theory （SLT） proposed by Vapnik, is introduced as a relatively new data mining method to meet the different tasks of materials design in our lab. The advantage of using SVM for materials design is discussed based on the applications in the formability of perovskite or BaNiO3 structure, the prediction of energy gaps of binary compounds, the prediction of sintered cold modulus of sialon-corundum castable, the optimization of electric resistances of VPTC semiconductors and the thickness control of In203 semiconductor film preparation. The results presented indicate that SVM is an effective modeling tool for the small sizes of sample sets with great potential applications in materials design.

关键词： Support vector machine materials genomeinitiative materials design Data mining Quantitative