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Structural tailoring of covalent organic frameworks with steric effects 被引量:1
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作者 Guiqing Lin Arindam Mal +3 位作者 Xuejiao Wang Xu Zhou Bo Gui Cheng Wang 《Science China Chemistry》 SCIE EI CAS CSCD 2023年第11期2977-2985,共9页
Covalent organic frameworks(COFs)provide a unique platform with tunable structures allowing precise control of pore sizes,shapes and functions.The key to synthesizing COFs with desired structures is to precisely contr... Covalent organic frameworks(COFs)provide a unique platform with tunable structures allowing precise control of pore sizes,shapes and functions.The key to synthesizing COFs with desired structures is to precisely control the conformation and geometry of building blocks as well as the growth direction of COFs.To achieve this,steric effects are noteworthy that may have a significant impact on the assembly of COFs.Specifically,the introduction of sterically demanding substituents or bulky groups into monomers of COFs will lead to intramolecular conformational changes and intermolecular repulsions,which induce structural changes in COFs,including changes in torsion angles,interlayer distances,stacking modes and topologies of 2D COFs,and changes in spatial nodes,interpenetration and topologies of 3D COFs.This review will help to understand the impacts of steric effects on the structures of COFs and to take them into extensive consideration in the design and synthesis of COFs with novel functionalities and structural attributes. 展开更多
关键词 covalent organic frameworks steric effect structural tailoring
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AEROELASTIC TAILORING OF AERONAUTICAL COMPOSITE WING STRUCTURES
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作者 Huang Chuanqi Qiao XinDept. of Aircraft Engineering, Nanjing Aeronautical Institute Nanjing 210016, Nanjing, P.R. of China 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 1991年第2期245-256,共12页
This paper deals with the aeroelastic tailoring of aeronautical composite wing surfaces. The objective function is structural weight. Multi constraints, such as displacements, flutter speed and gauge requirements, are... This paper deals with the aeroelastic tailoring of aeronautical composite wing surfaces. The objective function is structural weight. Multi constraints, such as displacements, flutter speed and gauge requirements, are taken into consideration. Finite element method is used to the static analysis. Natural vibration modes are obtained by the spectral transformation Lanczos method. Subsonic doublet lattice method is used to obtain the unsteady aerodynamics.The critical flutter speed is generated by V-g method.The optimal problem is solved by the feasible direction method.The thickness of the composite wing skin is simulated by bicubic polynomials, whose coefficients combined with the cross-sectional areas or thicknesses of other finite elements are the design variables. The scale of the problem is reduced by variable linkage. Derivative analysis is performed analytically.Two composite wing boxes and a swept-back composite wing are optimized at the end of the paper. 展开更多
关键词 DESIGN AEROELASTIC tailoring OF AERONAUTICAL COMPOSITE WING STRUCTURES THAN very
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Structure-tailored superlattice Bi_(7)Ti_(4)NbO_(21):Coupling octahedral tilting and rotation induced high ferroelectric polarization for efficient piezo-photocatalytic CO_(2) reduction 被引量:1
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作者 Jingren Ni Rufang Zhao +8 位作者 Chendi Shi Yuanyuan Ji Aize Hao Aiting Xie Hongjian Yu Siew Kheng Boong Hiang Kwee Lee Chuanqiang Zhou Jie Han 《Advanced Powder Materials》 2025年第2期12-21,共10页
Intergrowth ferroelectric semiconductors with excellent spontaneous polarization field are highly promising piezo-photocatalytic candidate materials.In addition,developing structural design and revealing polarization ... Intergrowth ferroelectric semiconductors with excellent spontaneous polarization field are highly promising piezo-photocatalytic candidate materials.In addition,developing structural design and revealing polarization enhancement in-depth mechanism are top priorities.Herein,we introduce the intergrowth ferroelectrics Bi_(7)Ti_(4)NbO_(21)thin-layer nanosheets for piezo-photocatalytic CO_(2)reduction.Density functional theory(DFT)calculations indicate that interlayer lattice mismatch leads to increased tilting and rotation angle of Ti/NbO_(6)octahedra on perovskite-like layers,serving as the main reason for increased polarization.Furthermore,the tilting and rotation angle of the interlayer octahedron further increase under stress,suggesting a stronger driving force generated to facilitate charge carrier separation efficiency.Meanwhile,Bi_(7)Ti_(4)NbO_(21)nanosheets provide abundant active sites to effectively adsorb CO_(2)and acquire sensitive stress response,thereby presenting synergistically advanced piezo-photocatalytic CO_(2)reduction activity with a high CO generation rate of 426.97μmol g^(-1)h^(-1).Our work offers new perspectives and directions for initiating and investigating the mechanisms of high-performance intergrowth piezo-photocatalysts. 展开更多
关键词 ntergrowth Bi_(7)Ti_(4)NbO_(21)nanosheets structural tailoring Ferroelectric polarization Octahedral distortion Piezo-photocatalytic CO_(2)reduction
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The rapid preparation of porous carbon with an improved capacitance
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作者 JIA Ya-jun HAN Zi-yue +7 位作者 LIU Hui-chao CHANG Yun-zhen ZHU Sheng HOU Wen-jing LIU Shu-jie ZHANG Ying ZHANG Jin-jiao HAN Gao-yi 《新型炭材料(中英文)》 北大核心 2025年第6期1265-1278,I0001-I0015,共29页
The typical method for preparing the porous carbon used in supercapacitors(SCs)is time-consuming and energy-intensive.We report a fast and efficient route to synthesize and tailor the structure of porous carbon by a J... The typical method for preparing the porous carbon used in supercapacitors(SCs)is time-consuming and energy-intensive.We report a fast and efficient route to synthesize and tailor the structure of porous carbon by a Joule heating technique(JHT)using phenolic resin and precursors.During the JHT process,the time and energy needed are both significantly reduced because the precursor is heated to the target temperature at a rate of 1100 K/s,so the porous carbon is formed with the release of small molecules and the etching of the substrate by K_(2)CO_(3).JHT has a higher energy efficiency than traditional carbonization methods in a tube furnace and allows for precise control of the pyrolysis process,thus achieving better control of the material’s structure and properties.Samples obtained by JHT contain abundant pores and a large specific surface area(1652.7 m^(2)/g),which give an excellent specific capacitance of 476.0 F/g and rate capability(75.1%capacitance retention at 64.0 A/g in an aqueous alkaline electrolyte).Furthermore,in electrolytes of 17.0 mol/kg NaClO_(4)(water-in-salt)and 1.0 mol/L TEABF4/AN,the symmetric SCs have a maximum energy density of 33.3 and 50.8 Wh/kg at power densities of 220.4 and 376.4 W/kg,respectively.The cells also have good long-term stability,with a nearly 100%Coulombic efficiency,and a capacitance retention of 93.1%in a water-in-salt electrolyte after 10000 cycles,and 88.9%in an organic electrolyte after 8000 cycles.This study shows that JHT has the potential to serve as an ultra-fast method to prepare porous carbons for energy storage. 展开更多
关键词 Ultra-fast preparation Porous carbon Structure tailoring Joule heating method Energy storage
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Crystal facet tailoring arts in perovskite oxides
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作者 Keke Huang Long Yuan Shouhua Feng 《Inorganic Chemistry Frontiers》 2015年第11期965-981,共17页
Crystal facet engineering is an important strategy for fine-tuning the physical and chemical properties in many fields,which will provide an effective route to fundamentally understand the relationship between the sur... Crystal facet engineering is an important strategy for fine-tuning the physical and chemical properties in many fields,which will provide an effective route to fundamentally understand the relationship between the surface structure and the electron state.Many researchers have worked on the technological performance improvement of noble metal nanoparticles and simple metal oxides by tailoring their crystal facets.Perovskite structure oxides are the most prominent mixed-oxide materials in the field of heterogeneous catalysis due to the acceptable catalytic activity and thermal stability.However,the utilization of perovskite oxides is still limited in comparison with noble metal catalysts because the most stable surface is usually terminated with non-catalytically active crystal facets.High-index facet tailoring may be an effective route to improve the activity of perovskite structure catalysts.So far,only several perovskite oxides have been reported on the crystal facet tailoring with well-defined polyhedral shapes.Herein,we review the recent progress in the facet tailoring arts in perovskite structure oxides.This review begins with a general introduction to facet related physical and chemical behavior and the potential facet-dependent applications.Then,the general principles of crystal growth and facet tailoring will be discussed.The principle for possible grown facets of perovskite structure oxides will be proposed.Various shape growth and facet tailoring of perovskite structure oxides will be reviewed in four parts:(i)tungsten and molybdenum trioxide(A^(0)B+6O_(3));(ii)niobate and tantalite(A^(+1)B^(+5)O_(3));(iii)titanate and zirconate(A^(+2)B^(+4)O_(3));(iv)ferrite,chromite and manganite(A^(+3)B^(+3)O_(3)),including mixed-valence state perovskite compounds.The facet tailoring mechanism in perovskite oxides will be discussed in the next section.Finally,an overview of the promising future of facet dependent applications will be given as a perspective outlook.Fundamental understanding of facet tailoring is expected to open up strategies for the development of highly efficient perovskite oxide materials. 展开更多
关键词 fundamentally understand relationship technological performance improvement heterogeneous catalysis perovskite oxides crystal facet engineering tailoring their crystal facetsperovskite structure oxides crystal facet tailoring noble metal nanoparticles
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Atomically Substitutional Engineering of Transition Metal Dichalcogenide Layers for Enhancing Tailored Properties and Superior Applications 被引量:1
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作者 Zhaosu Liu Si Yin Tee +1 位作者 Guijian Guan Ming‑Yong Han 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第5期248-284,共37页
Transition metal dichalcogenides(TMDs)are a promising class of layered materials in the post-graphene era,with extensive research attention due to their diverse alternative elements and fascinating semiconductor behav... Transition metal dichalcogenides(TMDs)are a promising class of layered materials in the post-graphene era,with extensive research attention due to their diverse alternative elements and fascinating semiconductor behavior.Binary MX2 layers with different metal and/or chalcogen elements have similar structural parameters but varied optoelectronic properties,providing opportunities for atomically substitutional engineering via partial alteration of metal or/and chalcogenide atoms to produce ternary or quaternary TMDs.The resulting multinary TMD layers still maintain structural integrity and homogeneity while achieving tunable(opto)electronic properties across a full range of composition with arbitrary ratios of introduced metal or chalcogen to original counterparts(0–100%).Atomic substitution in TMD layers offers new adjustable degrees of freedom for tailoring crystal phase,band alignment/structure,carrier density,and surface reactive activity,enabling novel and promising applications.This review comprehensively elaborates on atomically substitutional engineering in TMD layers,including theoretical foundations,synthetic strategies,tailored properties,and superior applications.The emerging type of ternary TMDs,Janus TMDs,is presented specifically to highlight their typical compounds,fabrication methods,and potential applications.Finally,opportunities and challenges for further development of multinary TMDs are envisioned to expedite the evolution of this pivotal field. 展开更多
关键词 Transition metal dichalcogenides Atomic substitution Tailored structure Tunable bandgap Enhanced applications
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Oxalate-assisted morphological effect of NaYF4:Yb3+,Er3+on photoelectrochemical performance for dye-sensitized solar cells 被引量:4
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作者 Juan Wang Zhenqiang Du +2 位作者 Mirabbos Hojamberdiev Siqi Zheng Yunhua Xu 《Journal of Rare Earths》 SCIE EI CAS CSCD 2018年第4期353-358,共6页
In this study. we have employed a facile oxalate-assisted hydrothermal approach to tailor the morphology of β-NaYF_4:Er^(3+),Yb^(3+)(NYFEY) powders through the variation of the molar ratio of oxalate ions(O... In this study. we have employed a facile oxalate-assisted hydrothermal approach to tailor the morphology of β-NaYF_4:Er^(3+),Yb^(3+)(NYFEY) powders through the variation of the molar ratio of oxalate ions(Oxa^(2-)) and rare earth ions(RE^(3+)) in the range of 0.5:1.1:1.2:1, 5:1. and 10:1. The obtained results show that the crystallinity, particle size and upconversion luminescence intensity of the as-synthesized NYFEY particles are gradually decreased as the Oxa^(2-):RE^(3+) molar ratio increases from 0.5:1 to 10:1. For the purpose of photoelectrochemical performance evaluation,the as-synthesized NYFEY particles with different morphologies are incorporated into the nanocrystalline TiO2 films to form the multifunctional nano-and sub-micro meter composite photoanodes of dye-sensitized solar cells(DSSCs). A short-circuit current density(Jsc) of 14.26 mA/cm^2 and power conversion efficiency(PCE) of 7.31% are obtained for DSSCs prepared with hexagonal rod-like NYFEY crystals,evidencing an increase of 29.8% compared with DSSCs prepared with only TiO_2 nanoparticles. The demonstrated synthesis approach for tailoring the morphology and size of NYFEY particles and enhancing the performance of DSSCs can also be applied for other types of solar cells. 展开更多
关键词 DSSCs Morphology tailoring Upconversion luminescence Rod-like structure Light harvesting Rare earths
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Mn^(4+) activated phosphors in photoelectric and energy conversion devices
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作者 Yang Ding Chunhua Wang +8 位作者 Lang Pei Qinan Mao Sateesh Bandaru Runtian Zheng Soumyajit Maitra Meijiao Liu Li-Hua Chen Bao-Lian Su Jiasong Zhong 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第11期277-299,I0007,共24页
Owing to their high luminous efficiency and tunable emission in both red light and far-red light regions,Mn^(4+)ion-activated phosphors have appealed significant interest in photoelectric and energy conversion devices... Owing to their high luminous efficiency and tunable emission in both red light and far-red light regions,Mn^(4+)ion-activated phosphors have appealed significant interest in photoelectric and energy conversion devices such as white light emitting diode(W-LED),plant cultivation LED,and temperature thermometer.Up to now,Mn^(4+)has been widely introduced into the lattices of various inorganic hosts for brightly redemitting phosphors.However,how to correlate the structure-activity relationship between host framework,luminescence property,and photoelectric device is urgently demanded.In this review,we thoroughly summarize the recent advances of Mn^(4+)doped phosphors.Meanwhile,several strategies like co-doping and defect passivation for improving Mn^(4+)emission are also discussed.Most importantly,the relationship between the protocols for tailoring the structures of Mn^(4+)doped phosphors,increased luminescence performance,and the targeted devices with efficient photoelectric and energy conversion efficiency is deeply correlated.Finally,the challenges and perspectives of Mn^(4+)doped phosphors for practical applications are anticipated.We cordially anticipate that this review can deliver a deep comprehension of not only Mn^(4+)luminescence mechanism but also the crystal structure tailoring strategy of phosphors,so as to spur innovative thoughts in designing advanced phosphors and deepening the applications. 展开更多
关键词 Mn^(4+) activator PHOSPHOR Structure tailoring Photoelectric device Energy conversion
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Tailoring the electronic structure of PdAg_(x) alloy nanowires for high oxygen reduction reaction
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作者 Fan Yang Ruiqin Ren +7 位作者 Xiaojia Zhang Muhammad Waqas Xinglan Peng Limin Wang Xiaotian Liu Du-Hong Chen Youjun Fan Wei Chen 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2023年第6期8-14,共7页
Lowering the cost while maintaining the highly catalytic performance is greatly beneficial for the development of commercial fuel cells and metal-air batteries.Compared with platinum,palladium holds a stronger oxygen ... Lowering the cost while maintaining the highly catalytic performance is greatly beneficial for the development of commercial fuel cells and metal-air batteries.Compared with platinum,palladium holds a stronger oxygen affinity and high abundance on earth,endowing it a promising alternative to platinum in anion-exchange membrane fuel cells.However,the sluggish oxygen reduction reaction of palladium still remains a great issue and requires the design of stable and efficient palladium-based electrocatalysts.Here,we report the solvothermal/hydrothermal reduction method to prepare a series of PdAg_(x)nanowires.The prepared PdAg_(x)NWs exhibit hollow structure,which greatly improves the utilization of Pd atoms,offering an outstanding ORR performance.Specifically,PdAg_(2)NWs exhibit an onset potential of 0.92 V and mass activity of 350.7 mA mgPd^(-1)at 0.7 V vs.RHE for ORR in 0.1 M KOH solution.This work provides a novel approach for the construction of hollow NWs and their subsequent applications in other electrocatalytic reactions. 展开更多
关键词 Hollow nanowire Palladium catalyst tailoring the electronic structure Oxygen reduction reaction Composition-performance relationship
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Visualizing the fluorescence of AgPt NCs by an asymmetrical pseudo-ligand exchange method
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作者 Lizhong He Tingting Dong +1 位作者 Xiaoyang Hu Zibao Gan 《Inorganic Chemistry Frontiers》 2024年第18期5979-5986,共8页
Precisely tailoring the structure of bimetal nanoclusters(NCs)at the atomic level has been proven to be an effective way to tune their physicochemical properties;however,achieving this remains challenging.Herein,the r... Precisely tailoring the structure of bimetal nanoclusters(NCs)at the atomic level has been proven to be an effective way to tune their physicochemical properties;however,achieving this remains challenging.Herein,the regulation from the reported Ag_(26)Pt(2-EBT)_(18)(PPh_(3))_(6)(Ag_(26)Pt)to Ag_(16)Pt(2-EBT)_(6)(dppm)_(4)Cl_(2)(Ag_(16)Pt;2-EBTH=2-ethylbenzenethiol;dppm=bis-(diphenylphosphino)methane)NC was instantaneously(within one minute)realized through an asymmetrical pseudo-ligand exchange strategy.Single crystal X-ray crystallography(SCXC)combined with X-ray photoelectron spectroscopy(XPS)and thermogravimetric analysis(TGA)confirmed its composition and structure.The target Ag_(16)Pt NC consists of a Pt@Ag_(12) icosahedral core capped by a ligand shell of a pair of dimetric-SR-Ag-SR-Ag-SR-staple motifs,four dppm ligands,and two chlorine atoms.Their geometrical,electronic and crystallographical structures were comparatively investigated before and after regulation,which also provides some clues for understanding the blueshift of the emission center(Ag_(26)Pt:845 nm vs.Ag_(16)Pt:675 nm).This work provides important insights into the regulation of structures and photoluminescence of bimetal NCs protected by co-ligands. 展开更多
关键词 asymmetrical pseudo ligand exchange atomic level physicochemical properties fluorescence bimetal nanoclusters precisely tailoring structure agpt ncs tune their physicochemical propertieshoweverachieving
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A high-throughput framework and database for twisted 2D van der Waals bilayers
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作者 Augusto L.Araújo Pedro H.Sophia +1 位作者 F.Crasto de Lima Adalberto Fazzio 《npj Computational Materials》 2025年第1期4607-4619,共13页
Twisted two-dimensional van der Waals heterostructures provide a fertile ground for tailoring electronic and structural properties.However,their vast configurational space poses challenges for systematic study.Here,we... Twisted two-dimensional van der Waals heterostructures provide a fertile ground for tailoring electronic and structural properties.However,their vast configurational space poses challenges for systematic study.Here,weintroduce SAMBA,an open-source,high-throughput Python workflowthat automates the generation,simulation,and analysis of twisted bilayers.Using the coincidence lattice method,we generate a comprehensive set of over 18,000 quasi-commensurable homo-and heterobilayer structures based on 63 experimentally reported monolayers,and perform DFT simulations on a growing subset.The resulting database includes symmetry,interlayer energetics,band alignment,and charge transfer.A detailed case study on graphene-jacutingaite illustrates the framework’s capabilities.This platform offers a robust foundation for data-driven discovery and the rational design of 2D materials with tunable properties. 展开更多
关键词 van der waals heterostructures coincidence lattice method coincidence lattice methodwe twisted bilayersusing high throughput tailoring electronic structural propertieshowevertheir twisted bilayers configurational space
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Using coupling slabs to tailor surface-acoustic-wave band structures in phononic crystals consisting of pillars attached to elastic substrates 被引量:3
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作者 Heng Zhang SiYuan Yu +5 位作者 FuKang Liu Zhen Wang MingHui Lu XiaoBo Hu YanFeng Chen XianGang Xu 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2017年第4期45-50,共6页
The propagation of surface acoustic waves(SAWs) in two-dimensional phononic crystals(PnCs) with and without coupling-enhancement slabs was theoretically investigated using a three-dimensional finite element method.Dif... The propagation of surface acoustic waves(SAWs) in two-dimensional phononic crystals(PnCs) with and without coupling-enhancement slabs was theoretically investigated using a three-dimensional finite element method.Different piezoelectric substrates,for example,lithium niobate(LiNbO_3),gallium nitride(GaN),and aluminium nitride(A1N),were taken into account.Compared to the PnCs without coupling-enhancement slabs,the coupling between each pillar and its nearest neighbor was largely enhanced in the presence of slabs.The bandwidth of the first directional band gap increased markedly compared with its initial value for the PnCs without a slab(within square symmetry).In addition,with increasing thicknesses of the slabs bonded between neighboring pillars,the first directional band-gap and second directional band gap of the PnCs tend to merge.Therefore,the structure with coupling-enhancement slabs can be used as an excellent electrical band elimination filter for most electro-SAW devices,offering a new strategy to realize chip-scale applications in electroacoustic signal processing,optoacoustic modulation,and even SAW microfluidic devices. 展开更多
关键词 surface acoustic waves(SAWs) phononic crystals(PnCs) tailored band structure
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