检索结果-内蒙古大学图书馆

Metal and ligand modification modulates the electrocatalytic HER,OER,and ORR activity of 2D conductive metal-organic frameworks

引用

Nano Research 2024年第9期17卷 7984-7990页

作者： Yanan Zhou Li Sheng Lanlan Chen Wenhui Zhao Wenhua Zhang Jinlong Yang School of Material Science and Chemical Engineering Institute of Mass SpectrometryNingbo UniversityNingbo 315211China Department of Chemical Physics University of Science and Technology of ChinaHefei 230026China Department of Material Science and Engineering University of Science and Technology of ChinaHefei 230026China Department of Physics Ningbo UniversityNingbo 315211China Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion and Synergetic Innovation Centre of Quantum Information and Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China

It is highly desirable to design efficient and stable hydrogen evolution reaction(HER)and oxygen evolution/reduction reaction(OER/ORR)electrocatalysts for the development of renewable energy ***,density functional theory(DFT)calculations were conducted to systematically investigate a series of TMN_(x)O_(4-x)-HTT(TM=Fe,Co,Ni,Ru,Rh,Pd,Ir and Pt;HTT=hexahydroxy tetraazanaphthotetraphene)analogs of two-dimensional(2D)conductive metal-organic frameworks(MOFs)as potential electrocatalysts for the HER,OER and *** thermodynamic and electrochemical stability simulations suggest that these designed catalysts are ***,CoO_(4)-HTT,RhN_(3)O_(1)-HTT and IrN3O1-HTT are predicted to be the most promising catalysts for the HER,OER and ORR,respectively,surpassing the catalytic activity of corresponding benchmark *** volcano plots were established based on the scaling relationship of adsorption Gibbs free energy of *** results reveal that regulating combinations of metal active centers and local coordination environments could effectively balance the interaction strength between intermediates and catalysts,thus achieving optimal catalytic *** findings not only opt for the promising HER/OER/ORR electrocatalysts but also guide the design of efficient electrocatalysts based on 2D MOFs materials.

关键词： hydrogen evolution reaction(HER) oxygen evolution/reduction reaction(OER/ORR) electrocatalysts design twodimensional(2D)conductive metal-organic frameworks(MOFs) density functional theory(DFT)

来源：评论

学校读者我要写书评

暂无评论

Commensurate and incommensurate Haldane phases for a spin-1 bilinear-biquadratic model

引用

Chinese physics B 2023年第9期32卷 157-162页

作者：代艳伟陈爱民刘希婧苏耀恒 Centre for Modern Physics and Department of Physics Chongqing UniversityChongqing 400044China School of Science Xi'an Polytechnic UniversityXi'an 710048China The School of Materials Science and Engineering Chongqing Jiaotong UniversityChongqing 400044China

Commensurate and incommensurate Haldane phases for a spin-1 bilinear-biquadratic model are investigated using an infinite matrix product state *** bipartite entanglement entropy can detect a transition point between the two *** both phases,the entanglement spectrum shows double *** calculate the nonlocal order parameter of the bond-centered inversion in both phases,which rapidly approaches a saturation value of-1 as the segment length *** nonlocal order parameter of the bond-centered inversion with a saturation value-1 and the nonzero value string order indicate that the Haldane phase is a symmetry-protected topological *** distinguish the commensurate and incommensurate Haldane phases,the transversal spin correlation and corresponding momentum distribution of the structure factor are *** a result,the transversal spin correlations exhibit different decay forms in both phases.

关键词： commensurate and incommensurate phases symmetry-protected topological phase transversal spin correlation

来源：评论

学校读者我要写书评

暂无评论

Realignment and suppression of charge density waves in the rare-earth tritellurides RTe3 (R=La, Gd, Er)

引用

Physical Review B 2024年第1期110卷 014111-014111页

作者： Saif Siddique James L. Hart Drake Niedzielski Ratnadwip Singha Myung-Geun Han Stephen D. Funni Michael Colletta Mehrdad T. Kiani Noah Schnitzer Natalie L. Williams Lena F. Kourkoutis Yimei Zhu Leslie M. Schoop Tomás A. Arias Judy J. Cha Department of Materials Science and Engineering Department of Physics Department of Chemistry Condensed Matter Physics and Materials Science Department School of Applied and Engineering Physics

The rare-earth tritellurides have a rich phase diagram that includes charge density waves (CDWs), superconductivity, and magnetic order, offering a platform to study the interplay between these phases on a square-net system. Prior studies have shown that defects can affect the CDW characteristics in these materials, yet coupling between the CDW order and the underlying microstructure has not been studied at the nanoscale. Here we use scanning transmission electron microscopy at cryogenic temperatures to directly visualize the effects of defects on the CDW order and provide a spatially resolved microscopic correlation between the CDW transition and structural defects. We show that in the presence of extended defects, such as dislocations and stacking faults, the weak orthorhombicity of the rare-earth tritellurides is lost and the material becomes pseudotetragonal. Since the orthorhombicity acts as a symmetry breaking field for the CDW transitions in rare-earth tritellurides, the presence of these extended defects modulates the energetics of the CDWs and suppresses the ground-state CDW phase at low temperature.

关键词： Charge density waves Crystal defects Disclinations & dislocations Rare-earth magnetic materials Cryo-transmission electron microscopy Electron diffraction Scanning transmission electron microscopy Transmission electron microscopy

来源：评论

学校读者我要写书评

暂无评论

Integrated preparation and manipulation of high‑dimensional flying structured photons

引用

eLight 2024年第1期4卷 185-192页

作者： Haoqi Zhao Yichi Zhang Zihe Gao Jieun Yim Shuang Wu Natalia MLitchinitser Li Ge Liang Feng Department of Electrical and Systems Engineering University of PennsylvaniaPhiladelphiaPA 19104USA Department of Materials Science and Engineering University of PennsylvaniaPhiladelphiaPA 19104USA Department of Electrical and Computer Engineering and Department of Physics Duke UniversityDurhamNC 27708USA Department of Engineering Science and Physics College of Staten IslandCUNYStaten IslandNY 10314USA The Graduate Center CUNYNew YorkNY 10016USA

The hope for a futuristic global quantum internet that provides robust and high-capacity quantum information transfer lies largely on qudits,the fundamental quantum information carriers prepared in high-dimensional superposition ***,preparing and manipulating N-dimensional flying qudits as well as subsequently establishing their entanglement are still challenging tasks,which require precise and simultaneous maneuver of 2(N-1)parameters across multiple degrees of ***,using an integrated approach,we explore the synergy from two degrees of freedom of light,spatial mode and polarization,to generate,encode,and manipulate flying structured photons and their formed qudits in a four-dimensional Hilbert space with high quantum fidelity,intrinsically enabling enhanced noise resilience and higher quantum data *** four eigen spin–orbit modes of our qudits possess identical spatial–temporal characteristics in terms of intensity distribution and group velocity,thereby preserving long-haul coherence within the entirety of the quantum data transmission *** leveraging the bi-photon entanglement,which is well preserved in the integrated manipulation process,we present versatile spin–orbit cluster states in an extensive dimensional Hilbert *** cluster states hold the promise for quantum error correction which can further bolster the channel robustness in long-range quantum communication.

关键词： cluster thereby preparing

来源：评论

学校读者我要写书评

暂无评论

Magnetic field annealing of FeCo-based amorphous alloys to enhance thermal stability and Curie temperature

引用

Rare Metals 2023年第6期42卷 2000-2006页

作者： Zai-Dao Li Wei-Wei Zhang Ge-Tian Li Song-Song Li Hong-Sheng Ding Tao Zhang Yu-Jun Song Center for Modern Physics Technology Department of Applied PhysicsBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceUniversity of Science and Technology BeijingBeijing100083China School of Materials Science and Engineering Beihang UniversityBeijing100191China

Annealing temperatures and applied magnetic fields are two important parameters for the performance modification of magnetic *** article investigated the effect of different annealing temperatures on crystallization condition,magnetic properties and thermal stability of the amorphous magnetic alloy Co_(36)Fe_(36)Si_(4.8)B1_(9.2)Nb_(4)(at%).Results indicate that the annealing temperature can significantly affect the size and content of precipitated nanocrystals in the amorphous alloy,and the precipitation of nanocrystalline phases can result in the distinct change of magnetic properties and Curie *** the annealing was performed at 595 ℃ for 30 min under an applied transverse external magnetic field of 9550.0A·m^(-1),the amorphous alloy shows excellent soft magnetic properties with the saturation magnetization of alloy reaching 110.00 mA·m^(2)·g^(-1),the residual magnetic induction intensity of 4 × 10^(-6) T and the coercivity as low as57.3 A·m^(-1).Furthermore,the Curie temperature of the field-annealed samples can reach up to 440 0C,approximately 58℃ higher than that of the as-quenched species.

关键词： Soft magnetic alloys Amorphous alloy Field annealing

来源：评论

学校读者我要写书评

暂无评论

Prediction of lattice thermal conductivity with two-stage interpretable machine learning

引用

Chinese physics B 2023年第4期32卷 11-18页

作者：胡锦龙左钰婷郝昱州舒国钰王洋冯敏轩李雪洁王晓莹孙军丁向东高志斌朱桂妹李保文 State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049China School of Microelectronics Southern University of Science and TechnologyShenzhen 518055China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Department of Physics Southern University of Science and TechnologyShenzhen 518055China Paul M.Rady Department of Mechanical Engineering and Department of Physics University of ColoradoBoulderColorado 80305-0427USA

Thermoelectric and thermal materials are essential in achieving carbon neutrality. However, the high cost of lattice thermal conductivity calculations and the limited applicability of classical physical models have led to the inefficient development of thermoelectric materials. In this study, we proposed a two-stage machine learning framework with physical interpretability incorporating domain knowledge to calculate high/low thermal conductivity rapidly. Specifically, crystal graph convolutional neural network(CGCNN) is constructed to predict the fundamental physical parameters related to lattice thermal conductivity. Based on the above physical parameters, an interpretable machine learning model–sure independence screening and sparsifying operator(SISSO), is trained to predict the lattice thermal conductivity. We have predicted the lattice thermal conductivity of all available materials in the open quantum materials database(OQMD)(https://***/). The proposed approach guides the next step of searching for materials with ultra-high or ultralow lattice thermal conductivity and promotes the development of new thermal insulation materials and thermoelectric materials.

关键词： low lattice thermal conductivity interpretable machine learning thermoelectric materials physical domain knowledge

来源：评论

学校读者我要写书评

暂无评论

Low-temperature and flexible strategy to in-situ fabricate ZrSiO_(4)-based ceramic composites via doping and tuning solid-state reaction

引用

Journal of Advanced Ceramics 2023年第6期12卷 1238-1257页

作者： Bohan Wang Le Fu Junjie Song Wenjun Yu Ying Deng Guofu Xu Jiwu Huang Wei Xia School of Materials Science and Engineering Central South UniversityChangsha 410083China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Shandong Laboratory of Yantai Advanced Materials and Green Manufacturing Yantai 264006China Applied Materials Science Department of Materials Science and EngineeringUppsala UniversityUppsala 75121Sweden

Synthetic zircon(ZrSiO_(4))ceramics are typically fabricated at elevated temperatures(over 1500℃),which would lead to high manufacturing ***,reports about preparing ZrSiO_(4)-based ceramic composites via controlling the solid-state reaction between zirconia(ZrO_(2))and silica(SiO_(2))are *** this work,we proposed a low-temperature strategy to flexibly design and fabricate ZrSiO_(4)-based ceramic composites via doping and tuning the solid-state *** ceramic composites and ZrSiO_(4) ceramics were in-situ prepared by reactive fast hot pressing(FHP)at approximately 1250℃ based on the proposed strategy,i.e.,a ZrSiO_(4)-SiO_(2) dual-phase composite with bicontinuous interpenetrating and hierarchical microstructures,a ZrSiO_(4)-ZrO_(2) dual-phase composite with a microstructure of ZrO_(2) submicron-and nano-particles embedded in a micron ZrSiO_(4) matrix,and ZrSiO_(4) ceramics with a small amount of residual ZrO_(2) *** results showed that the phase compositions,microstructure configurations,mechanical properties,and wear resistance of the materials can be flexibly regulated by the proposed ***,ZrSiO_(4)-based ceramic composites with different properties can be easily fabricated based on different application *** findings would offer useful guidance for researchers to flexibly fabricate ZrSiO_(4)-based ceramic composites at low temperatures and tailor their microstructures and properties through doping and tuning the solid-state reaction.

关键词： zirconia(ZrO_(2))-silica(SiO_(2)) zircon(ZrSiO_(4)) solid-state reaction ceramic composite mechanical properties wear resistance

来源：评论

学校读者我要写书评

暂无评论

Multiatom activation of single-atom electrocatalysts via remote coordination for ultrahigh-rate two-electron oxygen reduction

引用

Journal of Energy Chemistry 2023年第1期76卷 622-630,I0015页

作者： Xiaoqing Liu Rui Chen Wei Peng Lichang Yin De'an Yang Feng Hou Liqun Wang Ji Liang Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of Education School of Materials Science and EngineeringTianjin UniversityTianjin 300072China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016LiaoningChina Applied Physics Department College of Physics and Materials ScienceTianjin Normal UniversityTianjin 300387China

Electrocatalytic oxygen reduction via a two-electron pathway(2e^(-)-ORR)is a promising and eco-friendly route for producing hydrogen peroxide(H_(2)O_(2)).Single-atom catalysts(SACs)typically show excellent selectivity towards 2e^(-)-ORR due to their unique electronic structures and geometrical *** very low density of single-atom active centers,however,often leads to unsatisfactory H_(2)O_(2)yield rate,significantly inhibiting their practical *** this,we herein introduce fluorine as a secondary doping element into conventional SACs,which does not directly coordinate with the singleatom metal centers but synergize with them in a remote *** strategy effectively activates the surrounding carbon atoms and converts them into highly active sites for 2e^(-)-***,a record-high H_(2)O_(2)yield rate up to 27 mol g^(-1)h^(-1)has been achieved on the Mo–F–C catalyst,with high Faradaic efficiency of 90%.Density functional theory calculations further confirm the very kinetically facile 2e^(-)-ORR over these additional active sites and the superiority of Mo as the single-atom center to *** strategy thus not only provides a high-performance electrocatalyst for 2e^(-)-ORR but also should shed light on new strategies to significantly increase the active centers number of SACs.

关键词： Hydrogen peroxide Oxygen reduction reaction Two-electron pathway Remote coordination Electrocatalysis

来源：评论

学校读者我要写书评

暂无评论

Hyperdeterminants and composite fermion states in fractional Chern insulators

引用

Physical Review B 2024年第24期109卷 245125-245125页

作者： Xiaodong Hu Di Xiao Ying Ran Department of Physics Department of Materials Science and Engineering

Fractional Chern insulators (FCI) were proposed theoretically about a decade ago. These exotic states of matter are fractional quantum Hall states realized when a nearly flat Chern band is partially filled, even in the absence of an external magnetic field. Recently, exciting experimental signatures of such states have been reported in twisted MoTe2 bilayer systems. Motivated by these experimental and theoretical progresses, in this paper, we develop a projective construction for the composite fermion states (either the Jain's sequence or the composite Fermi liquid) in a partially filled Chern band with Chern number C=±1, which is capable of capturing the microscopics, e.g., symmetry fractionalization patterns and magnetoroton excitations. On the mean-field level, the ground states' and excited states' composite fermion wave functions are found self-consistently in an enlarged Hilbert space. Beyond the mean field, these wave functions can be projected back to the physical Hilbert space to construct the electronic wave functions, allowing direct comparison with FCI states from exact diagonalization on finite lattices. We find that the projected electronic wave function corresponds to the combinatorial hyperdeterminant of a tensor. When applied to the traditional Galilean invariant Landau level context, the present construction exactly reproduces Jain's composite fermion wave functions. We apply this projective construction to the twisted bilayer MoTe2 system. Experimentally relevant properties are computed, such as the magnetoroton band structures and quantum numbers.

关键词： Composite fermions Flat bands Fractional quantum Hall effect Landau levels Quantum anomalous Hall effect Quasiparticles & collective excitations Topological order Strongly correlated systems Twisted heterostructures Exact diagonalization Hartree-Fock methods Mean field theory Projective symmetries

来源：评论

学校读者我要写书评

暂无评论

Electrical transport crossover and large magnetoresistance in selenium deficient van der Waals HfSe2−x (0≤x≤0.2)

引用

Physical Review materials 2024年第5期8卷 054006-054006页

作者： Wenhao Liu Yangzi Zheng Aswin Lakshmi Narayanan Kondusamy David L. Scherm Anton V. Malko Bing Lv Department of Physics Department of Materials Science and Engineering

Transition-metal dichalcogenides (TMDs) have received much attention in the past decade not only due to the new fundamental physics, but also due to the emergent applications in these materials. Currently chalcogenide deficiencies in TMDs are commonly believed either during the high-temperature growth procedure or in the nanofabrication process resulting in significant changes of their reported physical properties in the literature. Here, we perform a systematic study involving pristine stochiometric HfSe2, Se-deficient HfSe1.9, and HfSe1.8. Stochiometric HfSe2 transport results show semiconducting behavior with a gap of 1.1eV. Annealing HfSe2 under high vacuum at room temperature causes the Se loss resulting in HfSe1.9, which shows unconventionally large magnetoresistivity following the extended Kohler rule at low temperatures below 50 K. Moreover, a clear electrical resistivity crossover, mimicking the metal-insulator transition, is observed in the HfSe1.9 single crystal. Further increasing the degree of deficiency in HfSe1.8 results in complete metallic electrical transport at all temperatures down to 2 K. Such a drastic difference in the transport behaviors of stoichiometric and Se-deficient HfSe2 further emphasizes the defect control and engineering could be an effective method that could be used to tailor the electronic structure of 2D materials, potentially unlock new states of matter, or even discover new materials.

关键词： Electrical conductivity Growth

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：