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Estimating the grain size of microgranular material using laser-induced breakdown spectroscopy combined with machine learning algorithms

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Plasma science and technology 2024年第5期26卷 129-137页

作者：张朝李亚举杨光辉曾强李小龙陈良文钱东斌孙对兄苏茂根杨磊张少锋马新文 Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province College of Physics and Electronic EngineeringNorthwest Normal UniversityLanzhou 730070People’s Republic of China Advanced Energy Science and Technology Guangdong LaboratoryHuizhou 516000People’s Republic of China Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000People’s Republic of China University of the Chinese Academy of Sciences Beijing 100049People’s Republic of China School of Nuclear Science and Technology University of the Chinese Academy of SciencesBeijing 100049People’s Republic of China

Recent work has validated a new method for estimating the grain size of microgranular materials in the range of tens to hundreds of micrometers using laser-induced breakdown spectroscopy(LIBS).In this situation,a piecewise univariate model must be constructed to estimate grain size due to the complex dependence of the plasma formation environment on grain *** the present work,we tentatively construct a unified calibration model suitable for LIBS-based estimation of those grain ***,two unified multivariate calibration models are constructed based on back-propagation neural network(BPNN)algorithms using feature selection strategies with and without considering prior *** detailed analysis of the performances of the two multivariate models,it was found that a unified calibration model can be successfully constructed based on BPNN algorithms for estimating the grain size in the range of tens to hundreds of *** was also found that the model constructed with a priorguided feature selection strategy had better prediction *** study has practical significance in developing the technology for material analysis using LIBS,especially when the LIBS signal exhibits a complex dependence on the material parameter to be estimated.

关键词： laser-induced breakdown spectroscopy machine learning randomly packed microgranular materials

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One-step synthesis and electromagnetic absorption properties of high entropy rare earth hexaborides(HE REB6)and high entropy rare earth hexaborides/borates(HE REB6/HE REB03)composite powders

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Journal of advanced Ceramics 2021年第1期10卷 62-77页

作者： Weiming ZHANG Biao ZHAO Huimin XIANG Fu-Zhi DAI Shijiang WU Yanchun ZHOU Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China Henan Key Laboratory of Aeronautical Materials and Application Technology School of Material Science and EngineeringZhengzhou University of AeronauticsZhengzhou 450046China Zibo Firststar New Material Incorporated Co. Ltd.Zibo 255000China

Considering the emergence of severe electromagnetic interference problems,it is vital to develop electromagnetic(EM)wave absorbing materials with high dielectric,magnetic loss and optimized impedance ***,realizing the synergistic dielectric and magnetic losses in a single phase material is still a ***,high entropy(HE)rare earth hexaborides(REB6)powders with coupling of dielectric and magnetic losses were designed and successfully synthesized through a facial one-step boron carbide reduction method,and the effects of high entropy borates intermedia phases on the EM wave absorption properties were *** HE REB6 ceramics including(Ce0.2Y0.2Sm0.2Er0.2Yb0.2)B6,(Ce0.2Hu0.2Sm0.2Er0.2Yb0.2)B6,(Ce0.2Y0.2Eu0.2Er0.2Yb0.2)B6,(Ce0.2Ya2Sm0.2Eu0.2Yb0.2)B6,and(Nd0.2Y0.2Sm0.2Eu0.2Yb0.2)B6 possess CsCl-type cubic crystal structure,and their theoretical densities range from 4.84 to 5.25 g/cm^(3).(Ce02Y0.2Sm0.2Er0.2Yb02)B6 powders with the average particle size of 1.86 jim were found to possess the best EM wave absorption properties among these *** RLmin value of(Ce0.2Y0.2Sm0.2Er0.2Yb0.2)B6 reaches-33.4 dB at 11.5 GHz at thickness of 2 mm;meanwhile,the optimized effective absorption bandwidth(EAB)is 3.9 GHz from 13.6 to 17.5 GHz with a thickness of 1.5 *** introduction of HE REB03(RE=Ce,Y,Sm,Eu,Er,Yb)as intermediate phase will give rise to the mismatching impedance,which will further lead to the reduction of reflection ***,the HEREB6/HEREB03 still possess wide effective absorption bandwidth of 4.1 GHz with the relative low thickness of 1.7 *** the better stability,low density,and good EM wave absorption properties,HE REB6 ceramics are promising as a new type of EM wave absorbing materials.

关键词： high entropy rare earth hexaborides(HE REB6) one-step synthesis electromagnetic wave absorbing properties synergistic dielectric and magnetic losses wide effective absorption bandwidth

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Improved material descriptors for bulk modulus in intermetallic compounds via machine learning

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Rare Metals 2023年第7期42卷 2396-2405页

作者： De-Xin Zhu Kun-Ming Pan Yuan Wu Xiao-Ye Zhou Xiang-Yue Li Yong-Peng Ren Sai-Ru Shi Hua Yu Shi-Zhong Wei Hong-Hui Wu Xu-Sheng Yang National Joint Engineering Research Center for Abrasion Control and Molding of Metal Materials Henan Key Laboratory of High-Temperature Structural and Functional MaterialsHenan University of Science and TechnologyLuoyang471003China Longmen Laboratory Luoyang471003China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing100083China Guangdong Province Key Laboratory of Durability for Marine Civil Engineering School of Civil EngineeringShenzhen UniversityShenzhen518060China Department of Industrial and Systems Engineering The Hong Kong Polytechnic UniversityHong Kong999077China

Bulk modulus is an important mechanical property in the optimal design and selection of intermetallic *** this study,bulk modulus datasets of intermetallic compounds were collected,and the features affecting the bulk modulus of intermetallics were screened via feature *** features B_(cal),dB_(avg),and TIE(corresponding to calculated bulk modulus,mean bulk modulus,and third ionization energy,respectively)were found to be the dominant factors influencing bulk modulus and can be extended to other multi-component ***,we predicted the bulk modulus with an accuracy of 95%using surrogate machine learning models with the selected features,and these features were also demonstrated to be effective for high-entropy ***,symbolic regression provided an expression for the relationship between bulk modulus and the screened *** machine learning models provide a new approach for optimizing and predicting the bulk moduli of intermetallic compounds.

关键词： Bulk modulus Intermetallic compounds Machine learning Symbolic regression

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Characterizing and controlling infrared phonon anomaly of bilayer graphene in optical-electrical force nanoscopy

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Light(science & Applications) 2023年第12期12卷 2700-2710页

作者： Junghoon Jahng Sunho Lee Seong-Gu Hong Chang Jun Lee Sergey G.Menabde Min Seok Jang Dong-Hyun Kim Jangyup Son Eun Seong Lee Hyperspectral Nano-imaging Team Korea Research Institute of Standards and ScienceDaejeon 34113Republic of Korea Department of Aerospace Engineering University of Illinois at Urbana-ChampaignUrbanaIL 61801USA Multiscale Mechanical Properties Measurement Team Korea Research Institute of Standards and ScienceDaejeon 34113Republic of Korea School of Mechanical Engineering Chonnam National UniversityGwangju 61186Republic of Korea School of Electrical Engineering Korea Advanced Institute of Science and TechnologyDaejeon 34141Republic of Korea Functional Composite Materials Research Center Korea Institute of Science and TechnologyJeonbuk 55324Republic of Korea SKKU Advanced Institute of Nanotechnology Sungkyunkwan UniversitySuwon 16419Republic of Korea Division of Nano&Information Technology KIST SchoolUniversity of Science and TechnologySeoul 02792Republic of Korea

We,for the first time,report the nanoscopic imaging study of anomalous infrared(IR)phonon enhancement of bilayer graphene,originated from the charge imbalance between the top and bottom layers,resulting in the enhancement of E1u mode of bilayer graphene near 0.2 *** modified the multifrequency atomic force microscope platform to combine photo-induced force microscope with electrostatic/Kelvin probe force microscope constituting a novel hybrid nanoscale optical-electrical force imaging *** enables to observe a correlation between the IR response,doping level,and topographic information of the graphene *** the nanoscale spectroscopic image measurements,we demonstrate that the charge imbalance at the graphene interface can be controlled by chemical(doping effect via Redox mechanism)and mechanical(triboelectric effect by the doped cantilever)***,we can also diagnosis the subsurface cracks on the stacked few-layer graphene at nanoscale,by monitoring the strain-induced IR phonon *** approach provides new insights into the development of graphene-based electronic and photonic devices and their potential applications.

关键词： electrical force optical

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Sequence-controlled dynamic covalent units enable decoupling of mechanical and self-healing performance of polymers

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science China Chemistry 2025年第2期68卷 745-753页

作者： Luzhi Zhang Hongfei Huang Lijie Sun Xiaopeng Ma Hui Tan Zhengwei You Respiratory Department Shenzhen Children’s Hospital Affiliated to Shantou University Medical CollegeShenzhen 518038China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringInstitute of Functional MaterialsResearch Base of Textile Materials for Flexible Electronics and Biomedical Applications(China Textile Engineering Society)Shanghai Key Laboratory of Lightweight CompositeShanghai Engineering Research Center of Nano-Biomaterials and Regenerative MedicineDonghua UniversityShanghai 201620China Yangtze Delta Region Institute(Huzhou) University of Electronic Science and Technology of ChinaHuzhou 313001China

Sequence regulation provides an effective approach to controlling the properties of polymer ***,this approach remains an open question in the field of dynamic polymers,which emerge as more and more important new generation ***,we systematically investigate the effect of sequence control of dynamic covalent units in tuning the properties of *** sequence-controlled poly(oxime-urethanes)are *** dynamic oxime-urethane groups are relatively dispersed(SCP-1)or concentrated(SCP-2)distributed in their molecular *** sequence control strategy provides an efficient way to decouple the mechanical and self-healing performance of polymers,which is one of the most pressing challenges in the *** relatively dispersed oxime-urethane groups in SCP-1 not only facilitate the reorganization of the dynamic covalent bonds but also increase the probability of the reformation of hydrogen *** reversible dissociation/reassociation of dynamic bonds is conducive to dissipating energy to enhance mechanical performance and promote self-healing *** a result,SCP-1 exhibits much faster self-healing than SCP-2,and its tensile strength is nearly twice that of *** addition,energy dissipation capacity and degradation behavior also show significant sequence ***,this work reveals a new molecular structure-property relationship and provides a powerful strategy to construct high-performance polymers.

关键词： sequence control dynamic polymer poly(oxime-urethane) strength polyurethane

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Synthesis of a Highly Crystalline Amide-Linked Covalent Organic Framework

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Chinese Journal of Chemistry 2023年第4期41卷 405-410页

作者： Yuyao Li Zhipeng Zhou Yuexian Hong Xin Dong Yonghang Yang Zihao Liang Junliang Sun Xudong Chen Wei Liu Zhikun Zheng Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education School of Chemistryand State Key Laboratory of Optoelectronic Materials and TechnologiesSun Yat-sen UniversityGuangzhouGuangdong510275 China College of Chemistry and Molecular Engineering Beijing National Laboratory for Molecular SciencesPeking UniversityBeijing100871 China School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhouGuangdong510006 China Jieyang Branch of Chemistry and Chemical Engineering Guangdong Laboratory JieyangGuangdong515200 China Key Laboratory of Low-Carbon Chemistry&Energy Conservation of Guangdong Province Key Laboratory for Polymeric Composite and Functional Materials of Ministry of EducationSchool of Materials Science and Engineeringand State Key Laboratory of Optoelectronic Materials and TechnologiesSun Yat-sen UniversityGuangzhouGuangdong510275 China

The dilemma for the synthesis of covalent organic frameworks(COFs)is crystallinity and ***,we present the synthesis of a single-crystalline amide-linked COF,and demonstrate its excellent chemical as well as thermal *** study will inspire the synthesis of a wide spectrum of highly crystalline and stable COFs,promote their structure-property investigations and boost their applications in selective gas adsorption,storage and separation.

关键词： Covalent organic frameworks Polymers Amides Organic crystals Microporous materials

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Self-assembled donor-acceptor hole contacts for inverted perovskite solar cells with an efficiency approaching 22%: The impact of anchoring groups

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Journal of Energy Chemistry 2022年第5期31卷 87-95页

作者： Qiaogan Liao Yang Wang Zilong Zhang Kun Yang Yongqiang Shi Kui Feng Bolin Li Jiachen Huang Peng Gao Xugang Guo Department of Materials Science and Engineering Guangdong Provincial Key Laboratory of Functional Oxide Materials and DevicesSouthern University of Science and Technology(SUSTech)Shenzhen 518055GuangdongChina College of Materials Fujian Key Laboratory of Advanced MaterialsXiamen UniversityXiamen 361005FujianChina CAS Key Laboratory of Design and Assembly of Functional Nanostructures Fujian Provincial Key Laboratory of NanomaterialsFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002FujianChina School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001HeilongjiangChina

Self-assembled molecules(SAMs) have shown great potential in replacing bulk charge selective contact layers in high-performance perovskite solar cells(PSCs) due to their low material consumption and simple processing. Herein, we design and synthesize a series of donor-acceptor(D-A) type SAMs(MPA-BTCA, MPA-BT-BA, and MPA-BT-RA, where MPA is 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;BT is benzo[c][1,2,5]-thiadiazole;CA is 2-cyanoacrylic acid, BA is benzoic acid, RA is rhodanine-3-propionic acid) with distinct anchoring groups, which show dramatically different properties. MPA-BTCA with CA anchoring groups exhibited stronger dipole moments and formed a homogeneous monolayer on the indium tin oxide(ITO) surface by adopting an upstanding self-assembling mode. However, the MPA-BT-RA molecules tend to aggregate severely in solid state due to the sp~3 hybridization of the carbon atom on the RA group, which is not favorable for achieving a long-range ordered self-assembled ***, benefiting from high dipole moment, as well as dense and uniform self-assembled film,the device based on MPA-BT-CA yielded a remarkable power conversion efficiency(PCE) of 21.81%.Encouragingly, an impressive PCE approaching 20% can still be obtained for the MPA-BT-CA-based PSCs as the device area is increased to 0.80 cm^(2). Our work sheds light on the design principles for developing hole selecting SAMs, which will pave a way for realizing highly efficient, flexible, and large-area PSCs.

关键词： Self-assembled molecules Donor-acceptor backbones Hole contacts Perovskite solar cells Anchoring groups

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水锌离子电池用钒基正极材料的低电流密度稳定性

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science Bulletin 2024年第6期69卷 833-845页

作者：窦欣月谢雪芳梁叔方国赵 School of Materials Science and Engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan ProvinceCentral South UniversityChangsha 410083China College of Physical Science and Technology Xinjiang UniversityUrumqi 830017China

Vanadium-based cathodes have received widespread attention in the field of aqueous zinc-ion batteries,presenting a promising prospect for stationary energy storage ***,the rapid capacity decay at low current densities has hampered their *** particular,capacity stability at low current densities is a requisite in numerous practical applications,typically encompassing peak load regulation of the electricity grid,household energy storage systems,and uninterrupted power *** possessing notably high specific capacities,vanadium-based materials exhibit severe instability at low current ***,the issue of stabilizing electrode reactions at these densities for vanadium-based materials has been explored insufficiently in existing *** review aims to investigate the matter of stability in vanadium-based materials at low current densities by concentrating on the mechanisms of capacity fading and optimization *** proposes a comprehensive approach that includes electrolyte optimization,electrode modulation,and electrochemical operational ***,we presented several crucial prospects for advancing the practical development of vanadium-based aqueous zinc-ion batteries.

关键词： Vanadium-based cathodes Low current density Capacity fading Zinc-ion batteries Stationary energy storage

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Study of the growth mechanism of a self‑assembled and ordered multi‑dimensional heterojunction at atomic resolution

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Frontiers of Optoelectronics 2023年第4期16卷 37-48页

作者： Zunyu Liu Chaoyu Zhao Shuangfeng Jia Weiwei Meng Pei Li Shuwen Yan Yongfa Cheng Jinshui Miao Lei Zhang Yihua Gao Jianbo Wang Luying Li Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials Hubei Collaborative Innovation Center for Advanced Organic Chemical MaterialsSchool of Materials Science and EngineeringHubei UniversityWuhan 430061China Center for Electron Microscopy MOE Key Laboratory of Artificial Micro-and Nano-Structures and the Institute for Advanced StudiesSchool of Physics and TechnologyWuhan UniversityWuhan 430072China State Key Laboratory of Infrared Physics Shanghai Institute of Technical PhysicsChinese Academy of SciencesShanghai 200083China

Multi-dimensional heterojunction materials have attracted much attention due to their intriguing properties,such as high efciency,wide band gap regulation,low dimensional limitation,versatility and *** further improve the performance of materials,researchers have combined materials with various dimensions using a wide variety of ***,research on growth mechanism of such composite materials is still *** this paper,the growth mechanism of multidimensional heterojunction composite material is studied using quasi-two-dimensional(quasi-2D)antimonene and quasione-dimensional(quasi-1D)antimony sulfde as *** are synthesized by a simple thermal injection *** is observed that the consequent nanorods are oriented along six-fold symmetric directions on the nanoplate,forming ordered quasi-1D/quasi-2D *** transmission electron microscopy(TEM)characterizations confrm the chemical information and reveal orientational relationship between Sb2S3 nanorods and the Sb nanoplate as *** density functional theory calculations indicate that interfacial binding energy is the primary deciding factor for the self-assembly of ordered *** details may fll the gaps in the research on multi-dimensional composite materials with ordered structures,and promote their future versatile applications.

关键词： Multi-dimensional composite materials Ordered heterostructures-Self-assembly Growth mechanism

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Small-Molecular Donor Based Efficient Organic Solar Cells with Thermally Stable Morphologies

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Chinese Journal of Chemistry 2024年第23期42卷 3075-3082页

作者： Wanying Feng Yuyang Bai Jiaying Wang Shaohui Yuan Xiangjian Wan Yu Chen Bin Kan Yongsheng Chen School of Materials Science and Engineering National Institute for Advanced MaterialsNankai UniversityTianjin 300350China State Key Laboratory and Institute of Elemento-Organic Chemistry Frontiers Science Center for New Organic MatterThe Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsRenewable Energy Conversion and Storage Center(RECAST)College of ChemistryNankai UniversityTianjin 300071China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100043China

Small-molecular organic solar cells usually exhibited unsatisfactory device stability,which might originate from their molecular diffusion ***,based on the all-small-molecule system HD-1:BTP-eC9,we reported a dimerized acceptor DC9,and its corresponding monomer acceptor *** comparison with eOD,the dimeric acceptor DC9 displayed higher glass transition temperature(Tg)but reduced molecular planarity and *** all-small molecule blend utilizing HD-1:eOD demonstrated a power conversion efficiency(PCE)of 15.13%,surpassing the value of 14.10%for the HD-1:DC9 ***,incorporating polymer donor PM6 into the HD-1:DC9 blend improved its morphology and charge transport dynamics,resulting in a device efficiency of over 16%,representing the rare case utilizing small-molecular donor and dimeric acceptor with PCE over 16%.Morphological characterization results affirmed that the surface morphologies and molecular packing behaviors of the blend films based on HD-1 were largely retained even after prolonged annealing and aging at 85℃.Consequently,the PCEs of the blend films based on HD-1:eOD,HD-1:DC9,and HD-1:PM6:DC9 consistently remained over 98%of their initial efficiency after 1000 h of thermal annealing aging at 85℃.These findings highlight the potential of small-molecular based active layer in the fabrication of efficient and stable OSCs.

关键词： Organic solar cells Small-molecular donor Small-molecular acceptor Dimeric acceptor Morphological thermal stability

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