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M2M’AlB4（M = Mn, Fe, Co, M’ = Cr, Mo, W）: Theoretical predicted ordered MAB phases with Cr3AlB4 crystal structure

Journal of Materials science & technology 2019年第7期35卷 1432-1438页

作者： Fu-Zhi Dai Huimin Xiang Yinjie Sun Yanchun Zhou Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials & Processing Technology

The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.

关键词： MAB phase Ordered structure First-principle calculations Cr3AlB4 Chemical bonds Ultrahigh temperature ceramics

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Designing and synthesis of perovskite nanocrystals: a promising wide-spectrum solar light–responsive photocatalyst and lead ion sensor

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Environmental science and Pollution Research 2024年 1-20页

作者： Ali, Nisar Ahmad, Shakeel Nawaz, Arif Khan, Manzoor Ullah, Aman Idrees, Muhammad Khan, Adnan Khan, Wilayat Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province National & ampLocal Joint Engineering Research Center for Mineral Salt Deep Utilization Huaiyin Institute of Technology Huai’an223003 China Department of Chemistry Bacha Khan University KPK Charsadda Pakistan Institute of Chemical Sciences University of Peshawar Peshawar25120 Pakistan Department of Physics Bacha Khan University KPK Charsadda Pakistan Ibra Oman Henan Key Laboratory of Advanced Semiconductor & amp Functional Device Integration School of Physics Henan Normal University Xinxiang453007 China

Perovskites are an emerging material with a variety of applications, ranging from their solar light conversion capability to their sensing efficiency. In current study, perovskite nanocrystals (PNCs) were designed using theoretical density functional theory (DFT) analysis. Moreover, the theoretically designed PNCs were fabricated and confirmed by various characterization techniques. The calculated optical bandgap from UV–Vis and fluorescence spectra were 2.15 and 2.05 eV, respectively. The average crystallite size of PNCs calculated from Scherrer equation was 15.18 nm, and point of zero charge (PZC) was obtained at pH 8. The maximum eosin B (EB) removal efficiency by PNCs was 99.56% at optimized conditions following first-order kinetics with 0.98 R2 value. The goodness of the response surface methodology (RSM) model was confirmed from analysis of variance (ANOVA), with the experimental F value (named after Ronald Fisher) of 194.66 being greater than the critical F value F0.05, 14, 14 = 2.48 and a lack of fit value of 0.0587. The Stern–Volmer equation with a larger Ksv value of 1.303710×106 for Pb2+ suggests its greater sensitivity for Pb2+ among the different metals tested. Graphical Abstract: (Figure presented.) © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： Perovskite

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Interface structure and strain controlled Pt nanocrystals grown at side facet of MoS_(2)with critical size

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Nano Research 2022年第9期15卷 8493-8501页

作者： Yuchen Zhu Yinghui Sun Hongzhou Zhang Yang He Wei Liu Rongming Wang Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceUniversity of Science and Technology BeijingBeijing 100083China School of Physics Trinity College DublinDublin 2D02 PN40Ireland Division of Energy Research Resources Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of Sciences457 Zhongshan RoadDalian 116023China

The heterostructure of transition metal nanocrystal on two-dimensional(2D)materials exhibits unique physical and chemical properties through various interfacial *** has been established that the atomic structure and strain in the vicinity of the interface determine the band structure and phonon modes of the nanocrystal,regulating the optical and electrical properties of such ***,metal–support interfacial engineering is a demonstrated approach to acquiring desired properties of the ***,a fundamental understanding of the interfacial structures remains elusive and precise control of the interactions has yet ***,we explore the regulation of interface on MoS_(2)supported Pt nanocrystals which were prepared by reducing ultrasonic dispersed potassium *** Pt-MoS_(2)heterostructure interface was systematically studied by aberration corrected transmission electron *** types of Pt-MoS_(2)interfaces with distinct atomic configurations were *** strain within the Pt nanocrystals is sensitive to the atomic configuration of the supporting MoS_(2),which regulates the size of the Pt *** results provide insights on tuning of nanocrystal strain,paving the way for precise control of 2D semiconductor heterostructures.

关键词： nucleation crystallization metal-2D semiconductor heterostructure interface interaction

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High-Performance Ag_(2)Se/Methyl Cellulose Thermoelectric composites for Flexible Power Generators

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Energy Material Advances 2024年第1期5卷 275-282页

作者： Zuo Xiao Qiufeng Meng Yong Du Ping Wei Jie Qin Jingyu Chen Zhongchang Wang Per Eklund School of Materials Science and Engineering Shanghai Institute of Technology100 Haiquan RoadShanghai 201418China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China The Center of Functional Materials for Working Fluids of Oil and Gas Field School of New Energy and MaterialsSouthwest Petroleum UniversityChengdu 610500China Sichuan Engineering Technology Research Center of Basalt Fiber Composites Development and Application State Key Laboratory of Oil and Gas Reservoir Geology and ExploitationSouthwest Petroleum UniversityChengdu 610500SichuanChina International Iberian Nanotechnology Laboratory Av.Mestre Jose Veiga s/n4715-330 BragaPortugal Thin Film Physics Division Department of PhysicsChemistry and Biology(IFM)Linköping UniversitySE-58183 LinköpingSweden

Flexible thermoelectric generators(FTEGs)offer a promising solution for powering wearable electronics,while their practical applications are mainly obstructed by the moderate properties of flexible thermoelectric(TE)***,flexible Ag_(2)Se nanowire(NW)/methyl cellulose(MC)composite films were developed via facile screen-printing technology combined with cold pressing and annealing treatment,and a highest power factor of 1,641.58μW m^(-1)K^(-2)at 360 K was *** reasons for the high TE performance of the Ag_(2)Se NW/MC composite films were because,after the annealing treatment,the Ag_(2)Se NWs were sintered to form conductive network structures,the crystallinity of Ag_(2)Se was markedly enhanced,and the content of insulating phase MC in the composite film was *** Ag_(2)Se NW/MC composite film held appreciable flexibility,as its room-temperature power factor(1,312.08μW m^(-1)K^(-2))can retain~93%after bending for 1,000 cycles at a radius of 4 ***,the assembled FTEG consisting of 4 strips can generate a maximal power density of 3.51 W m^(-2)at a temperature difference of 14.1 *** results open an effective and large-scale strategy for fabricating high-performance flexible TE materials and energy-harvesting devices.

关键词： annealing treatment cold pressing Ag Se nanowires methyl cellulose flexible thermoelectric generators ftegs offer thermoelectric composites flexible thermoelectric generators power factor

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Structural color printing via polymer-assisted photochemical deposition

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Light(science & Applications) 2022年第5期11卷 796-807页

作者： Shinhyuk Choi Zhi Zhao Jiawei Zuo Hossain Mansur Resalat Faruque Yu Yao Chao Wang School of Electrical Computer and Energy EngineeringArizona State UniversityTempeAZ 85287USA Biodesign Center for Molecular Design and Biomimetics Arizona State UniversityTempeAZ 85287USA College of Materials Science and Engineering Key Laboratory of Advanced Functional MaterialsEducation Ministry of ChinaBeijing University of TechnologyBeijing 100124China

Structural color printings have broad applications due to their advantages of long-term sustainability,eco-friendly manufacturing,and ultra-high ***,most of them require costly and time-consuming fabrication processes from nanolithography to vacuum deposition and ***,we demonstrate a new color printing technology based on polymer-assisted photochemical metal deposition(PPD),a room temperature,ambient,and additive manufacturing process without requiring heating,vacuum deposition or *** PPD-printed silver films comprise densely aggregated silver nanoparticles filled with a small amount(estimated<20%volume)of polymers,producing a smooth surface(roughness 2.5 nm)even better than vacuum-deposited silver films(roughness 2.8 nm)at~4 nm ***,the printed composite films have a much larger effective refractive index n(~1.90)and a smaller extinction coefficient k(~0.92)than PVD ones in the visible wavelength range(400 to 800 nm),therefore modulating the surface reflection and the phase *** capability of PPD in printing both ultra-thin(~5 nm)composite films and highly reflective thicker film greatly benefit the design and construction of multilayered Fabry–Perot(FP)cavity structures to exhibit vivid and saturated *** demonstrated programmed printing of complex pictures of different color schemes at a high spatial resolution of~6.5μm by three-dimensionally modulating the top composite film geometries and dielectric spacer thicknesses(75 to 200 nm).Finally,PPD-based color picture printing is demonstrated on a wide range of substrates,including glass,PDMS,and plastic,proving its broad potential in future applications from security labeling to color displays.

关键词： composite printing silver

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Y_5Si_3C and Y_3Si_2C_2: Theoretically predicted MAX phase like damage tolerant ceramics and promising interphase materials for SiC_f/SiC composites

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Journal of Materials science & technology 2019年第3期35卷 313-322页

作者： Yanchun Zhou Huimin Xiang Fu-Zhi Dai Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials & Processing Technology

Researching for interphase materials that can protect SiC fibers from oxygen and water vapor attacks has become one of the most important issues for the applications of SiC_f/SiC composites in high-temperature combustion environment. However, such kinds of interphase materials are not available yet. Herein,we report theoretically predicted properties of two promising interphase materials Y_5Si_3 C and Y_3Si_2C_*** crystallizing in different structures, they share the common features of layered structure,anisotropic chemical bonding, anisotropic electrical and mechanical properties, and low shear deformation resistance. The bulk moduli for Y_5Si_3C and Y_3Si_2C_2 are 78 and 93 GPa, respectively; while their shear moduli are 52 and 50GPa, respectively. The maximum to minimum Young's modulus ratios are1.44 for Y_5Si_3C and 3.27 for Y_3Si_2C_2. Based on the low shear deformation resistance and low Pugh's ratios(G/B = 0.666 forY_5Si_3C and 0.537 for Y_3Si_2C_2; G: shear modulus; B: bulk modulus), they are predicted as damage tolerant and soft ceramics with predicted Vickers hardness of 9.6 and 6.9 GPa, *** cleavage plane and possible slip systems are(000 l) and(0001)[1120] and(1010)[0001] forY_5Si_3C,and those for Y_3Si_2C_2 are {h00} and(010)[101]. Since the oxidation products are water-vapor resistant Y2 Si2 O7, Y2 SiO5 and/or Y_2 O_3 upon oxidation, and the volume expansions are ca 140% and ca 26% for Y_5Si_3C and Y_3Si_2C_2, they are expected to seal the interfacial cracks in SiC_f/SiC composites. The unique combination of easy cleavage, low shear deformation resistance, volume expansions upon oxidation, and the resistance of the oxidation products to water vapor attack warrant them promising as interphase materials of SiC_f/SiC composites for water-vapor laden environment applications.

关键词： Y5Si3C Y3Si2C2 Interphase material Damage tolerant ceramics Electronic structure

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Oxidation behavior of Mo-Si-B alloys at medium-to-high temperatures

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Journal of Materials science & technology 2021年第1期60卷 113-127页

作者： Kunming Pan Yanping Yang Shizhong Wei Honghui Wu Zhili Dong Yuan Wu Shuize Wang Laiqi Zhang Junping Lin Xinping Mao Henan Key Laboratory of High-temperature Structural and Functional Materials National Joint Engineering Research Center for Abrasion Control and Molding of Metal MaterialsHenan University of Science and TechnologyLuoyang 471003China Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China School of Materials Science and Engineering Nanyang Technological UniversitySingapore State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China

Continuous exploration of high-temperature structural materials is being driven by the needs of gasturbine engines capable of withstanding the high-temperature *** low melting points of currently applied superalloys restrain the further improvement of service tempe *** higher melting tempe ratures above 2000℃,Mo-Si-B alloys are regarded as a new generation of ultrahightemperature structural ***,oxidation is a concern for the industrial application of Mo-Si-B ***,an in-depth understanding of the oxidation mechanisms may contribute to solving this issue,whereas relevant reviews about their recent advances are *** the current work,a comprehensively systematic review about the oxidation behaviors of Mo-Si-B alloys is described for this purpose.

关键词： Mo-Si-B alloys Oxidation resistance Alloying and modification Enhancement

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Air-Stable Li_(2)C_(6)O_(6) and Li_(4)C_(6)O_(6) as High-Efficiency Lithium Compensation Additives in Cathode

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Energy Material Advances 2024年第1期5卷 78-86页

作者： Mengyan Cao Bingyun Ma Simeng Zhang Huajun Li Hang Chu Yurui Gao Tao Cheng Xuefeng Wang Xueliang Sun Zhaoxiang Wang Liquan Chen Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China College of Materials Science and Opto-Electronic Technology University of Chinese Academy of SciencesBeijing 100190China Institute of Functional Nano and Soft Materials(FUNSOM) Soochow UniversitySuzhou 215123China Eastern Institute for Advanced Study Eastern Institute of TechnologyNingboZhejiang 315200China Laboratory of Theoretical and Computational Nanoscience National Center for Nanoscience and TechnologyChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China Tianmu Lake Institute of Advanced Energy Storage Technologies Co.Ltd. Liyang 213300China Department of Mechanical and Materials Engineering University of Western OntarioLondonOntario N6A 3K7Canada

The continuous lithium consumption during cycling severely reduces the energy density of the lithium battery,and thus,lithium compensation is ***,Li_(x)C_(6)O_(6)(x=2,4)was proposed as an air-stable high-efficiency sacrificial additive in the cathode to compensate for the lost lithium ions in solid-state lithium *** a delithiation(oxidation)potential as low as 3.8 V,Li_(2)C_(6)O_(6) can release most of its Li^(+)ions(294.8 mAh g^(−1) in theory).Similarly,Li_(4)C_(6)O_(6) is also characteristic of low oxidation potential and high delithiation capacity(547.8 mAh g^(−1) in theory).The feasibility of using Li_(x)C_(6)O_(6) as the self-sacrificial additive in the cathode was verified with the marked increase of the initial charge capacity of the Li||LiFePO_(4)(half)cells and the initial discharge capacity of Cu||LiFePO_(4)(full)cells,and the improved electrolyte/cathode interface stability and interface contact,in the solid-state poly(ethylene oxide)-lithium bis(trifluoromethane)sulfonimide(PEO-LiTFSI)*** addition,the structure and delithiation of Li_(x)C_(6)O_(6) and the impacts of its decomposition product on the PEO-LiTFSI solid electrolyte were also evaluated on the basis of the comprehensive physical characterizations and the density functional theory(DFT)*** findings open a new avenue for elevating the energy density and/or elongate the lifespan of the solid-state secondary batteries.

关键词： electrolyte cathode interface stability LixC O lithium ions solid state lithium batteries lithium compensation air stable additives density functional theory lithium batteryand

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Liquid-liquid interface‐assisted growth of two‐dimensional organic semiconductor single crystals:Mechanisms,properties,and applications

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Information ＆ functional Materials 2024年第2期1卷 220-241页

作者： Jinwen Wang Tingyi Yan Lingyun Li Zheng Ren Xiujuan Zhang Jiansheng Jie Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhouJiangsuChina Jiangsu Key Laboratory for Carbon‐Based Functional Materials&Devices Soochow UniversitySuzhouJiangsuChina Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhouJiangsuChina Macao Institute of Materials Science and Engineering MUST‐SUDA Joint Research Center for Advanced Functional MaterialsMacao University of Science and TechnologyTaipaMacaoChina

Two‐dimensional organic semiconductor single crystals(2D OSSCs)represent the promising candidates for the construction of high‐performance electronic and optoelectronic devices due to their ultrathin thicknesses,free of grain boundaries,and long‐range ordered molecular *** recent years,substantial efforts have been devoted to the fabrication of the large‐sized and layer‐controlled 2D OSSCs at the liquid‐liquid *** unique interface could act as the molecular flat and defect‐free substrate for regulating the nucleation and growth processes and enabling the formation of large‐sized ultrathin 2D ***,this review focuses on the liquid-liquid interface‐assisted growth methods for the controllable preparation of 2D OSSCs,with a particular emphasis on the advantages and limitations of the corresponding ***,the typical methods employed to control the crystal sizes,morphologies,structures,and orientations of 2D OSSCs at the liquid-liquid interface are discussed in ***,the recent progresses on the 2D OSSCs‐based optoelectronic devices,such as organic field‐effect transistors,ambipolar transistors,and phototransistors are ***,the key challenges and further outlook are proposed in order to promote the future development of the 2D OSSCs in the field of the next‐generation organic optoelectronic devices.

关键词： ambipolar transistors liquid‐liquid interface‐assisted growth organic field‐effect transistors organic phototransistors two‐dimensional organic semiconductor single crystal

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Optical,thermal and luminescence properties of La2O3-Ga2O3-ZrO2 glasses co-doped with Tm3+/Yb3+prepared by containerless technique

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Journal of Rare Earths 2022年第11期40卷 1706-1714,I0002页

作者： Jiansheng Xie Minghui Zhang Yanzhuo Wang Rongting Guo Ying Shi Xiuhong Pan Xuechao Liu Kun Chen Meibo Tang Feng Wu Zhihong Zhang School of Materials Science and Engineering Shanghai UniversityShanghai 200444China State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China Hubei Key Laboratory of Plasma Chemistry and Advanced Materials Wuhan Institute of TechnologyWuhan 430205China College of Chemical and Biological Engineering Guilin University of TechnologyGuangxi Key Laboratory of Electrochemical and Magneto-chemical Functional MaterialsGuilin 541004China AECC-Chengdu Chengdu 610500China

Bulk LaO-GaO-ZrO(LGZ)glass and Tm/Ybco-doped LGZ glasses were synthesized successfully using containerless *** spectra result reveals that the matrix sample possesses the low maximum phonon energy of~642 *** glasses show good compatibility between large Abbe numbers(>31)and high refractive indices(n>1.93).Moreover,transmittance measurements reflect that the glasses have high infrared transmittance of-81.9%,small OHabsorption coefficient and long mid-infrared cut-off wavelengths(-7.5μm).The surface morphology of host glass was characterized by scanning electron microscopy(SEM)micrograph and energy dispersive spectroscopy(EDS)tests reflect that the doped compositions are distributed into the matrix glass *** results of thermal analysis show that the glasses have good thermal properties(T>769℃).Excited by 980 am laser,an intense 1810 am fluorescence is obtained originating from the transition:~3 E→~3 Hof Tmion,accompanied by upconversion *** can be observed that 1810 nm fluorescence has the highest intensity at 1 mol%YbOand owns broad full width at half-maximum(>245 nm),the luminescence intensity of~3 F→~3 Htransition increases with rising temperature from 300 to 550 ***,the value of energy transfer efficiency shows that Ybcan transfer energy to *** fitting the attenuation curves,the lifetimes of 1810 and 474 nm emission can be acquired.

关键词： Containerless technique Lanthanum gallate glass Thermal analysis Luminescence Rare earth ions

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