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High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting

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Journal of Energy Chemistry 2024年第4期91卷 194-202页

作者： Guangtong Hai Xiangdong Xue Zhenyu Wu Canyang Zhang Xin Liu Xiubing Huang Institute of Zhejiang University-Quzhou Zhejiang UniversityQuzhou 324000ZhejiangChina Beijing Key Laboratory of Membrane Materials and Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory of Function Materials for Molecule&Structure ConstructionSchool of Materials Science and EngineeringUniversity of Science and TechnologyBeijing 100083China CentreÉnergie Matériaux et Télécommunications(EMT) Institut national de la recherche scientifique(INRS)Varennes J3X1P7QuébecCanada

Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation *** to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and *** assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral *** results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.

关键词： High-throughput calculation Overall water splitting Single atom doped catalyst Molybdenum disulfide nanosheet

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Multimodal element(including lithium)mapping in a Mg-9Li-4Al-1Zn alloy

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Journal of Magnesium and Alloys 2024年第11期12卷 4468-4480页

作者： Yu Zhang Yang Liu Zhuoran Zeng Nick Birbilis Philip N.H.Nakashima Laure Bourgeois Department of Materials Science and Engineering Monash UniversityVIC 3800Australia Monash Centre for Electron Microscopy Monash UniversityVIC 3800Australia College of Materials Science and Engineering Hunan UniversityChangsha 410082China State Key Laboratory of Advanced Design and Manufacturing Technology for Vehicle Hunan UniversityChangsha 410082China Suzhou Research Institute of Hunan University Suzhou 215131China Faculty of Science Engineering and Built EnvironmentDeakin UniversityVIC 3125Australia

Determining the distribution of alloying elements,particularly lithium,is crucial for a holistic understanding of magnesium-lithium-based *** this work,a bespoke ratio spectrum-imaging method based on electron energy-loss spectroscopy,in combination with time-of-flight secondary ion mass spectrometry,energy-dispersive X-ray spectroscopy and Z-contrast imaging,was applied to an as-rolled LAZ941 alloy(Mg-9Li-4Al-1Zn in wt.%).This was done to characterize the distribution of alloying elements,including the distribution of solute in the magnesium *** applications of different mapping techniques revealed that precipitates with two different morphologies are rich in Li,Al and Zn,compared to their surrounding ***,it was confirmed that theβ-phase of the alloy contains higher Li and lower Mg concentrations when compared to theα-*** study demonstrated the effectiveness and accuracy of the ratio spectrum-imaging method for mapping the elemental distribution(including lithium)in a range of Li-containing materials.

关键词： Magnesium alloys Lithium distribution mapping Solute content mapping Phase determination Electron energy-loss spectroscopy(EELS) Time-of-flight secondary ion mass spectrometry(ToF-SIMS) Scanning transmission electron microscopy(STEM)

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Slag design and optimization for iron capturing platinum group metals from alumina-based spent catalysts

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Rare Metals 2023年第6期42卷 2093-2103页

作者： Xue-Feng He Xi-Ping Yin Yun-Ji Ding Zhi-Sheng Shi Bao-Huai Zhao Huan-Dong Zheng Jin-Xin Jian Shen-Gen Zhang Chein-Chi Chang Research Center for Metal Materials Recycling Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing100083China Shunde Innovation Institute of University of Science and Technology Beijing Foshan528399China Institute of Engineering Technology Sinopec Catalyst Co.Ltd.Beijing101111China Department of Engineering and Technical Services District of Columbia Water and Sewer AuthorityWashington DC20032USA

Production of petrochemical catalysts accounts for one of the largest shares of platinum group metals(PGMs) consumption;thus,recycling of spent petrochemical catalysts holds great economic ***,PGMs are recovered through hydrometallurgical processes which have a low recovery efficiency and produce a large amount of *** this regard,this paper proposed a method to use iron-capturing PGMs based on CaO-Al_(2)O_(3)-Na_(2)O *** method avoided the formation of Fe-Si alloy and achieved efficient enrichment of *** droplet force model showed that the recovery efficiency of PGMs could be improved if the slag had low density and low *** on this result,FactSage software optimized the composition of ***,the effect of B_(2)O_(3) on the 1400 ℃ liquidus of CaO-Al_(2)O_(3)-Na_(2)O_(3)-B_(2)O_(3) phase diagram was ***,it was found that the recovery efficiency of PGMs exceeded 99% under the following optimized conditions:basicity of 1.0,20 wt%Na_(2)O,15 wt% B_(2)O_(3),15 wt% Fe,3 wt% C and a temperature range of 1400-1500℃.The thermodynamic model revealed the mechanism of iron *** chemical bonds prevented the formation of bonds between the alloy and slag,resulting in the separation of the slag from the *** particles and iron microspheres had significant surface Gibbs free *** when iron microspheres and PGMs particles collided and fused with each other to reduce their surface area could the Gibbs free energy of the system be reduced.

关键词： Slag type design Spent catalyst Alumina Platinum group metals(PGMs) Iron capture

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Structure and luminescence properties of color-tunable phosphor Sr_(2)La_(3)(SiO_(4))_(3)F:Tb^(3+),Sm^(3+)

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Journal of Rare Earths 2023年第9期41卷 1288-1294,I0001页

作者： Haikun Liu Kun Nie Yuanyuan Zhang Lefu Mei Dina V.Deyneko Xiaoxue Ma Department of Energy and Chemical Engineering Dongguan University of TechnologyDongguan 523808China State Key Laboratory of New Textile Materials&Advanced Processing Technology and Hubei Key Laboratory for New Textile Materials and Applications School of Materials Science and EngineeringKey Laboratory of Polyphenylene Sulfide Fiber and Application in Textile IndustryWuhan Textile UniversityWuhan430200China Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Sciences and TechnologyChina University of GeosciencesBeijing 100083China School of Materials Sciences and Technology Dongguan University of TechnologyDongguan 523808China School of Materials Science and Engineering Xi'an Jiaotong UniversityXi'an 710049China Department of Chemistry Lomonosov Moscow State UniversityMoscow 119991Russia Laboratory of Arctic Mineralogy and Material Sciences Kola Science CentreRussian Academy of Sciences14 Fersman Str.184209ApatityRussia

A series of single-phase and color-tunable phosphors Sr_(2)La_(3)(SiO_(4))_(3)F:0.15Tb^(3+),xSm^(3+)(SLSOF:0.15Tb^(3+),xSm^(3+)) was prepared using solid-state *** X-ray diffraction(XRD) was used to characterize the phase of the as-prepared *** synthesized phosphors have apatite-type structure without other ***^(3+) and Tb^(3+) ions substitute La^(3+) into the lattice and form a single-phase solid *** elements are evenly distributed in the sample according to the scanning electron microscopy(SEM) *** crystal structure of the host phosphor was refined by the Rietveld *** optical properties were studied in detail by investigation of the luminescence and diffuse spectra,fluorescence decay curves and energy transfer *** phosphor color can be changed from green(0.29,0.48) to yellow/orange and red(0.57,0.42) via adjusting the doping ratio of Sm^(3+).The SLSOF:0.15Tb^(3+),xSm^(3+)phosphors can emit typical multicolor light such as green,yellow,orange and red with gradually increasing Sm^(3+)doping *** results indicate the occurrence of the energy transfer which results in the color-tunable properties of the phosphors.

关键词： Apatite Calcination Phosphor Optical property Luminescence Rare earths

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Preparation of Amphiphilic Ag-Polyethylenimine Dendritic Polymer Nanocapsules for Surface-Enhanced Raman Scattering Detection

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ACS Applied Polymer materials 2024年第6期6卷 3222-3232页

作者： Xu, Qi-Yang Lin, Gong-De Wang, Kuan-Syun Huang, Ying-Chi Huang, Yu-Xuan Lin, Chen-Yang Wu, Chien-Hsin Jeng, Ru-Jong Liu, Ting-Yu Institute of Polymer Science and Engineering National Taiwan University Taipei10617 Taiwan Department of Materials Engineering Ming Chi University of Technology New Taipei City243303 Taiwan Advanced Research Center for Green Materials Science and Technology National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan City32003 Taiwan College of Engineering & Center for Sustainability and Energy Technologies Chang Gung University Taoyuan33302 Taiwan

According to recent research, amphiphilic surfactants can stabilize metal nanoparticles because of their excellent dispersibility. Therefore, herein, amphiphilic polyethylenimine (PEI) dendritic polymer nanocapsules were synthesized by using PEI and poly(urea/malonamide) dendrons of different generations. Then, silver nanoparticles (AgNPs) were immobilized on PEI dendritic polymer nanocapsules for surface-enhanced Raman scattering (SERS) detection. Well-designed amphiphilic PEI dendrons possessed abundant nucleation sites for AgNP reduction, which could directly reduce silver ions to AgNPs without additional reducing agents at room temperature, showing the stronger reducing capability than pristine PEI. The size and interparticle gap of AgNPs were manipulated by varying the size of the PEI dendritic polymer and the ratio of PEI dendritic nanocapsules/AgNO3. As a result, the Ag-PEI-dendritic polymer was able to perform Raman enhancing capability. Especially, a sample, namely, Ag-PEI-G0.5, exhibited the strongest Raman enhancement effect, due to the optimal size and interparticle gap of AgNPs. The Ag-PEI dendritic SERS nanocapsules could rapidly and reproducibly detect many kinds of biomolecules (adenine, methylene blue, and beta-carotene) with a linear calibration curve. The limit of detection (LOD) of adenine was lower than 10-7 M. Therefore, this facile method to in situ prepare Ag-PEI dendritic SERS nanocapsules (reducing agent free) possesses high potential to be applied in rapid SERS detection for the quantitative analysis of biomolecules. © 2024 American Chemical Society

关键词： Silver nanoparticles

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Strain-enhanced dynamic regulation of chiroptical responses in 3D suspended nested metamaterials

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Optics Express 2025年第11期33卷 23440-23451页

作者： Li, Bo Duan, Shilong Zou, Qiushun Guo, Ruansheng Chen, Yimin Gu, Chenjie Zhang, Peiqing Shen, Xiang Faculty of Electrical Engineering and Computer Science Ningbo University Ningbo315211 China Laboratory of Infrared Material and Devices Zhejiang Key Laboratory of Advanced Optical Functional Materials and Devices Advanced Technology Research Institute Ningbo University Zhejiang 315211 China CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern Mechanics University of Science and Technology of China Anhui Hefei230027 China

Three-dimensional (3D) chiral metamaterials, which exhibit strong chiroptical responses, have attracted tremendous attention in the broad fields of next-generation photonic devices and chiroptical spectroscopy techniques. There is an urgent need for a novel fabrication approach that enables the rapid and straightforward preparation of 3D chiral nanostructures, along with a robust strategy for achieving dynamic regulation. Here, we proposed a strain-enhanced strategy for dynamically regulating the chiroptical responses of 3D suspended nested metamaterials from the transformation of a 2D precursor. The local strain enhancement could effectively resolve the bottleneck of insufficient strain and low precision for the buckling strain self-assembly. The changing morphology and circular dichroism (CD) of 3D suspended chiral metamaterials were analyzed under the impact of a strain-enhanced effect. Then, the uplifted heights of these 3D nanostructures increased with the substrate’s pre-strain (Εpre). Its CD reached up to 0.79, mainly resulting from ring electric dipoles. Interestingly, the chiroptical responses of 3D nanopyramids were regulated dynamically by controlling the substrate’s pre-strain. Such a strategy provides a new pathway for achieving high-performance chiral metamaterials and offers promising applications in circularly polarized light detection, super-chiral light sources, optical communication, and advanced nanophotonic systems. © 2025 Optica Publishing Group under the terms of the Optica Open Access Publishing Agreement.

关键词： Metamaterials

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(EDTA)^(4-) supplements as superior modifier of the in-vitro-degradation properties of the magnesium alloy coated through discharge-assisted process

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Journal of Magnesium and Alloys 2023年第3期11卷 945-957页

作者： Zeeshan Ur Rahman Maqsood Ali Ye-Tang Pan David G.Churchill Bon Heun Koo College of Mechatronic Engineering Changwon National UniversityChangwonGyeongsangnam-doRepublic of Korea Department of Regenerative Medicines College of MedicinesSoonChunhyang UniversityCheonanRepublic of Korea National Engineering Technology Research Center of Flame Retardant Materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijingPR China Department of Chemistry Molecular Logic Gate LaboratoryKorea Advanced Institute of Science and Technology(KAIST)Republic of Korea

The(EDTA)^(4-)organic substituents were supplemented with alkaline silicates electrolyte,however in varying concentration to explore the microstructure,chemical composition and subsequent effects on the biodegradation of the PEO coated Mg AZ91 *** surface analysis-,carried out through SEM,samples with zero-(EDTA)^(4-)were found-,lacking pancake structural features;however,supplementing electrolyte with(EDTA)^(4-),bulky and layered pancakes were obtained with minimum cracks and minimum porosity for *** the phase and inner layer analysis,it was found that EDTA can significantly alter the surface layers composition and could act as a passivation agent-;however,individual polycrystalline phases were not found to *** hardness value obtained for EDT-1 was~909.69 HV,the highest value found here which occurs with the shallowest indents found in this ***-vitro degradation analysis was carried out using potentiodynamic polarization at room temperature,cyclic polarization at RT and high fever conditions(HFT~40°C).The corrosion potential for coated AZ91 was obtained as a positive value of~0.1 V,for the first time in the PEO research;however,the results were not supported by the cyclic polarization tests at room temperature and at *** post corrosion microstructural analysis confirmed the effective role of EDTA up to 1.0 g·L^(-1)and revealed the formation of thin films during the forward polarization at HFT.

关键词： EDTA Soft plasma Magnesium Biodegradation Corrosion SBF

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Lightweight PPy aerogel adopted with Co and SiO_(2) nanoparticles for enhanced electromagnetic wave absorption

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Journal of materials science & technology 2022年第2期97卷 213-222页

作者： Haicheng Wang Huating Wu Huifang Pang Yuhua Xiong Shuwang Ma Yuping Duan Yanglong Hou Changhui Mao State Key Laboratory of Advanced Materials for Smart Sensing General Research Institute for Nonferrous MetalsBeijing 100088and GRIMAT Engineering Institute Co.Ltd.Beijing 101402China School of Materials Science and Engineering Dalian University of TechnologyDalian 116085China Beijing Key Laboratory for Magnetoelectric Materials and Devices(BKLMMD) Beijing Innovation Center for Engineering Science and Advanced Technology(BIC-ESAT)Department of Materials Science and EngineeringCollege of EngineeringPeking UniversityBeijing 100871China

Lightweight nanocomposites consisting of magnetic and dielectric units aroused intensive interest as potential high performance electromagnetic wave absorbing *** this work,we report a facile and efficient method to fabricate(Co,SiO_(2))/PPy composites with tunable electromagnetic *** absorbing properties and effective absorbing bandwidth can be regulated by controlling the content of SiO_(2) in *** composite shows a maximum reflection loss(RL)of-65.31 d B at 11.12 GHz with a thickness of 3.002 mm when SiO_(2) being 22 wt.%.The effective absorbing bandwidth reaches up to 5.1 GHz(8.91-14.01 GHz),which covers the entire X band(8-12 GHz).The improved impedance matching,high interfacial polarization and complex electromagnetic synergy in the composites are the key factors giving rise to the higher efficient *** PPy aerogel-based nanocomposites with controllable absorption performance,lower density and strong environmental adaptability will become attractive candidates as advanced microwave absorbing materials.

关键词： Lightweight nanocomposites PPy aerogel Electromagnetic wave absorbing Impedance matching Electromagnetic synergy

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Research progress in interface modification and thermal conduction behavior of diamond/metal composites

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International Journal of Minerals,Metallurgy and materials 2022年第2期29卷 200-211页

作者： Ping Zhu Pingping Wang Puzhen Shao Xiu Lin Ziyang Xiu Qiang Zhang Equo Kobayashi Gaohui Wu School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China Key Laboratory of Advanced Structure-Function Integrated Materials and Green Manufacturing Technology School of Material Science and EngineeringHarbin Institute of TechnologyHarbin 150001China Industrial Technology Research Institute of Heilongjiang Province Harbin 150001China Department of Materials Science and Engineering Tokyo Institute of TechnologyTokyo 152-8550Japan

Diamond/metal composites are widely used in aerospace and electronic packaging fields due to their outstanding high thermal conductivity and low ***,the difference in chemical properties leads to interface incompatibility between diamond and metal,which has a considerable impact on the performance of the *** improve the interface compatibility between diamond and metal,it is necessary to modify the interface of *** paper reviews the experimental research on interface modification and the application of computational simulation in diamond/metal *** computational simulation with experimental methods is a promising way to promote diamond/metal composite interface modification research.

关键词： diamond/metal interface modification thermal conductivity computational simulation

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Bioinspired tungsten-copper composites with Bouligand-type architectures mimicking fish scales

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Journal of materials science & technology 2022年第1期96卷 21-30页

作者： Yuan Zhang Guoqi Tan Mingyang Zhang Qin Yu Zengqian Liu Yanyan Liu Jian Zhang Da Jiao Faheng Wang Longchao Zhuo Zhefeng Zhang Robert O.Ritchie Shi-Changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaHefei 230026China Department of Materials Science and Engineering University of California BerkeleyBerkeleyCA94720USA Jihua Laboratory Foshan 528200China School of Materials Science and Engineering Xi’an University of TechnologyXi’an 710048China

The microscopic Bouligand-type architectures of fish scales demonstrate a notable efficiency in enhancing the damage tolerance of materials;nevertheless,it is challenging to reproduce in *** bioinspired tungsten-copper composites with different Bouligand-type architectures mimicking fish scales were fabricated by infiltrating a copper melt into woven contextures of tungsten *** composites exhibit a synergetic enhancement in both strength and ductility at room temperature along with an improved resistance to high-temperature *** strengths were interpreted by adapting the classical laminate theory to incorporate the characteristics of Bouligand-type *** particular,under load the tungsten fibers can reorient adaptively within the copper matrix by their straightening,stretching,interfacial sliding with the matrix,and the cooperative kinking deformation of fiber grids,representing a successful implementation of the optimizing mechanisms of the Bouligand-type architectures to enhance strength and *** study may serve to promote the development of new high-performance tungsten-copper composites for applications,e.g.,as electrical contacts or heat sinks,and offer a viable approach for constructing bioinspired architectures in metallic materials.

关键词： Bouligand structure Tungsten-copper composites Fish scales Structural reorientation Bioinspired designs

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