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Application of machine learning in perovskite materials and devices:A review

Journal of Energy Chemistry 2024年第7期94卷 254-272页

作者： Ming Chen zhenhua Yin Zhicheng Shan Xiaokai zheng Lei Liu Zhonghua Dai Jun Zhang Shengzhong(Frank)Liu Zhuo Xu School of Electric Power Civil Engineering and ArchitectureCollege of Physics and Electronics EngineeringState Key Laboratory of Quantum Optics and Quantum Optics DevicesShanxiUniversityTaiyuan030006ShanxiChina Key Laboratory of Applied Surface and Clloid Chemistry National Ministry of EducationShanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119ShaanxiChina State Key Laboratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Metal-halide hybrid perovskite materials are excellent candidates for solar cells and photoelectric devices.In recent years,machine learning(ML)techniques have developed rapidly in many fields and provided ideas for material discovery and design.ML can be applied to discover new materials quickly and effectively,with significant savings in resources and time compared with traditional experiments and density functional theory(DFT)calculations.In this review,we present the application of ML in per-ovskites and briefly review the recent works in the field of ML-assisted perovskite design.Firstly,the advantages of perovskites in solar cells and the merits of ML applied to perovskites are discussed.Secondly,the workflow of ML in perovskite design and some basic ML algorithms are introduced.Thirdly,the applications of ML in predicting various properties of perovskite materials and devices are reviewed.Finally,we propose some prospects for the future development of this field.The rapid devel-opment of ML technology will largely promote the process of materials science,and ML will become an increasingly popular method for predicting the target properties of materials and devices.

关键词： Machine learning Perovskite Materials design Bandgap engineering Stability Crystal structure

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Granular Ionogel Particle Inks for 3D Printed Tough and Stretchable Ionotronics

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Research 2024年第1期2023卷 429-442页

作者： Yuan Yao Yue Hui zhenhua Wang Hehao Chen Heng Zhu Nanjia Zhou Key Laboratory of 3D Micro/Nano Fabrication and Characterization of Zhejiang Province School of EngineeringWestlake UniversityHangzhou 310024Zhejiang ProvinceChina Institute of Advanced Technology Westlake Institute for Advanced StudyHangzhou 310024Zhejiang ProvinceChina School of Chemical Engineering and Advanced Materials the University of AdelaideAdelaide 5005South AustraliaAustralia State Key Laboratory of Fluid Power&Mechatronic System Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceCenter for X-MechanicsDepartment of Engineering MechanicsZhejiang UniversityHangzhou 310027China

Ionogels have garnered great attention as promising soft conducting materials for the fabrication of flexible energy storage devices,soft actuators,and ionotronics.However,the leakage of the ionic liquids,weak mechanical strength,and poor manufacturability have greatly limited their reliability and applications.Here,we propose a new ionogel synthesis strategy by utilizing granular zwitterionic microparticles to stabilize ionic liquids.The ionic liquids swell the microparticles and physically crosslink microparticles via either electronic interaction or hydrogen bonding.Further introducing a photocurable acrylic monomer enables the fabrication of double-network(DN)ionogels with high stretchability(>600%)and ultrahigh toughness(fracture energy>10 kJ/m^(2)).The synthesized ionogels exhibit a wide working temperature of−60 to 90℃.By tuning the crosslinking density of microparticles and physical crosslinking strength of ionogels,we synthesize DN ionogel inks and print them into three-dimensional(3D)motifs.Several ionogelbased ionotronics are 3D printed as demonstrations,including strain gauges,humidity sensors,and ionic skins made of capacitive touch sensor arrays.Via covalently linking ionogels with silicone elastomers,we integrate the ionogel sensors onto pneumatic soft actuators and demonstrate their capacities in sensing large deformation.As our last demonstration,multimaterial direct ink writing is harnessed to fabricate highly stretchable and durable alternating-current electroluminescent devices with arbitrary structures.Our printable granular ionogel ink represents a versatile platform for the future manufacturing of ionotronics.

关键词： crosslinking utilizing gauge

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LPCS Ni-Zn-Al_(2)O_(3) Intermediate Layer Enhanced SPS NiCr-Cr_(3)C_(2) Coating with Higher Corrosion and Wear Resistances

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 188-195页

作者：白杨 LI Yan XING Lukuo LI Xiangbo WANG zhenhua State Key Laboratory of Marine Coatings Marine Chemical Research Institute Co.Ltd.Qingdao 266071China College of Mechanical and Electrical Engineering University of China Petroleum(East China)Qingdao 266580China Science and Technology on Marine Corrosion and Protection Laboratory Luoyang Ship Materials Research InstituteQingdao 266101China

The double-layer NiCr-Cr_(3)C_(2)/Ni-Zn-Al_(2)O_(3) coatings with sufficient corrosion and wear resistance were prepared on low carbon steel substrates.The intermediate layers Ni-Zn-Al_(2)O_(3) were fabricated by using low-pressure cold spray (LPCS) method to improve the salt fog corrosion resistance properties of the supersonic plasma spray (SPS) NiCr-Cr_(3)C_(2) coatings.The friction and wear performance for the double-layer and single-layer NiCr-Cr_(3)C_(2) coatings were carried out by line-contact reciprocating sliding,respectively.Combined with the coating surface analysis techniques,the effect of the salt fog corrosion on the tribological properties of the double-layer coatings was studied.The results showed that the double-layer coatings exhibited better wear resistance than that of the single-layer coatings,due to the better corrosion resistance of the intermediate layer;the wear mass losses of the double-layer coatings was reduced by 70%than that of the single layer coatings and the wear mechanism of coatings after salt fog corrosion conditions is mainly corrosion wear.

关键词： low-pressure cold spray NiCr-Cr_(3)C_(2)coating wear behavior salt fog corrosion

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Recent applications of macrocycles in supramolecular catalysis

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Chinese Chemical Letters 2024年第4期35卷 132-141页

作者： Conghui Wang Lei Xu zhenhua Jia Teck-Peng Loh College of Advanced Interdisciplinary Science and Technology Henan University of TechnologyZhengzhou 450001China Division of Chemistry and Biological Chemistry School of Chemistry Chemical Engineeringand BiotechnologyNanyang Technological UniversitySingapore 637371Singapore Institute of Advanced Synthesis School of Chemistry and Molecular Engineering Nanjing Tech UniversityNanjing 211816China

Numerous supramolecular macrocycles have been utilized for developing catalysts by exploiting their specific molecular recognition and ability to form inclusion complexes through noncovalent interactions. The cyclic structure and modified functional groups of these macrocycles can influence substrate and transition state stability, as well as reaction selectivity. The inner cavities of these macrocycles are particularly beneficial, as they enable substrates to adopt preorganized arrangements and serve as versatile platforms for highly efficient supramolecular catalytic systems. This minireview provides an overview of recent advancements in supramolecular catalysis using various macrocycles, such as crown ethers, cyclodextrins,calixarenes, pillararenes, cucurbiturils, and other novel macrocycles.

关键词： Supramolecular catalysis Macrocycle Host-guest interactions Confinement Selectivity

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Social Robot Detection Method with Improved Graph Neural Networks

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Computers, Materials & Continua 2024年第2期78卷 1773-1795页

作者： zhenhua Yu Liangxue Bai Ou Ye Xuya Cong Institute of Systems Security and Control College of Computer Science and TechnologyXi’an University of Science and TechnologyXi’an710054China

Social robot accounts controlled by artificial intelligence or humans are active in social networks,bringing negative impacts to network security and social life.Existing social robot detection methods based on graph neural networks suffer from the problem of many social network nodes and complex relationships,which makes it difficult to accurately describe the difference between the topological relations of nodes,resulting in low detection accuracy of social robots.This paper proposes a social robot detection method with the use of an improved neural network.First,social relationship subgraphs are constructed by leveraging the user’s social network to disentangle intricate social relationships effectively.Then,a linear modulated graph attention residual network model is devised to extract the node and network topology features of the social relation subgraph,thereby generating comprehensive social relation subgraph features,and the feature-wise linear modulation module of the model can better learn the differences between the nodes.Next,user text content and behavioral gene sequences are extracted to construct social behavioral features combined with the social relationship subgraph features.Finally,social robots can be more accurately identified by combining user behavioral and relationship features.By carrying out experimental studies based on the publicly available datasets TwiBot-20 and Cresci-15,the suggested method’s detection accuracies can achieve 86.73%and 97.86%,respectively.Compared with the existing mainstream approaches,the accuracy of the proposed method is 2.2%and 1.35%higher on the two datasets.The results show that the method proposed in this paper can effectively detect social robots and maintain a healthy ecological environment of social networks.

关键词： Social robot detection social relationship subgraph graph attention network feature linear modulation behavioral gene sequences

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High-Volume Mineral Admixtures Cement: The Effects of Particle Size Distribution

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 102-108页

作者：黄启珉 WANG Kun LU Jiping YU Jianping SHENG zhenhua 杨露 State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China Fujian Jinniu Cement Co. LtdSanming 353300China

The effects of high-volume slag-fly ash cement with different particle sizes on hydration degree,microstructure and mechanical properties were systematically studied,by means of laser particle size(DLS),X-ray diffraction (XRD),comprehensive thermal analysis (TG-DTA),scanning electron microscopy(SEM) and mechanical properties tests.The results show that suitable particle size distribution of cementitious material has significantly promoting effects on hydration reaction rate and mechanical properties.Compared with slag without further grinding,the slag after ball milling for 4 h has an obvious improvement in reactivity,which also provides a faster hydration rate and higher compressive strength for the cementitious material.When the slag milled for 1 and 4 h is mixed at a mass ratio of 2:1 (i e,slag with D_(50) of 7.4μm and average size of 9.9μm,and slag with D_(50) value of 2.6μm and average size of 5.3μm),and a certain amount of fly ash is added in,the most obvious improvement of compressive strength of cement is achieved.

关键词： ultrafine slag microstructure compressive strength particle size

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Sustainable thermal energy harvest for generating electricity

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The Innovation 2024年第2期5卷 24-26页

作者： Shuai Zhang Zekun Liu Xiaotian Zhang zhenhua Wu Zhiyu Hu Department of Micro/Nano Electronics School of Electronic Information and Electrical EngineeringShanghai Jiao Tong UniversityShanghai 200240China Zhangjiang Institute for Advanced Study Shanghai Jiao Tong UniversityShanghai 200240China School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai 200240China

Electricity is the lifeblood of modern society.However,the predominant source of electricity generation still relies on non-renewable fossil fuels,whose combustion releases greenhouse gases contributing to global warming.The increasing demand for energy and escalating environmental concerns necessitate proactive measures to develop innovative green energy technologies capable of both cooling the Earth and generating electricity.Here,we look forward to an interdisciplinary power system integrating solar absorbers,radiative coolers,and thermoelectric generators.This system can simultaneously harvest thermal energy from the sun and from cold space,thereby transforming the challenges posed by global warming into opportunities for the production of clean electricity.We underscore recent advancements in this field and address key challenges while also exploring forward-looking opportunities in the foreseeable future.The proposed integrated energy technology achieves uninterrupted power supply through the unrestricted capture of thermal energy,offering a robust alternative pathway for next-generation sustainable energy technologies.

关键词： Sustainable generating electricity

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Preparation of baicalin colon-targeted granules and its intervention effect on ulcerative colitis in rats

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Particuology 2024年第2期85卷 13-21页

作者： Yongqing Huang Yuxin Zhou Yao Shen Jin Wang Liangliang Zhou zhenhua Chen Jiangxi Provincial Key Laboratory of Drug Design and Evaluation School of PharmacyJiangxi Science and Technology Normal UniversityNanchang330013China

Baicalin(BA)is a flavonoid extracted from the dried root of Scutellaria baicalensis Georgi with excellent antioxidant and anti-inflammatory biological activities.In this study,Eudragit S100 was used as the colonic target material to prepare BA colonic targeting granules(EBCGs)based on plasticizer dry powder coating technology to improve the targeting transportation performance of BA.In vitro studies showed that EBCGs with pH-sensitive properties were successfully prepared by plasticizer dry powder coating,and in vivo animal imaging studies showed that EBCGs could deliver BA to the colon and inhibit the release of BA in the upper gastrointestinal tract(GIT).In vivo studies showed that EBCGs had good therapeutic effects in colitis,which reduced expression levels of tumor necrosis factor alpha(TNF-α)and interleukin-1β(IL-1β)and increased superoxide dismutase(SOD)activities in the colonic tissues of rats with colitis.In conclusion,Eudragit S100 could be used for the preparation of multi-unit oral colon-targeted formulations by plasticizer dry powder coating technology,and our prepared EBCGs had good colon-targeting properties,which could improve the therapeutic effect and provide a potential application for ulcerative colitis(UC).

关键词： Plasticizer dry powder coating Colon-targeted granulesIn vivo imaging Ulcerative colitis

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Mechanical behaviors of warm and ice-rich frozen soil stabilized with sulphoaluminate cement

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Journal of Mountain Science 2024年第1期21卷 335-345页

作者： WANG Honglei ZHANG Hu ZHANG Jianming ZHANG Qi YIN zhenhua State Key Laboratory of Frozen Soil Engineering Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China School of Civil Engineering and Transportation Northeast Forestry UniversityHarbin 150040China National Key Laboratory of Green and Long-Life Road Engineering in Extreme Environment CCCC First Highway Consultants Co.LtdXi'an 710065China Railway Engineering Research Institute China Academy of Railway Sciences Corporation LimitedBeijing 100081China

The warm and ice-rich frozen soil is characterized by high unfrozen water content, low shear strength and large compressibility, which is unreliable to meet the stability requirements of engineering infrastructures and foundations in permafrost regions. In this study, a novel approach for stabilizing the warm and ice-rich frozen soil with sulphoaluminate cement was proposed based on chemical stabilization. The mechanical behaviors of the stabilized soil, such as strength and stress-strain relationship, were investigated through a series of triaxial compression tests conducted at -1.0℃, and the mechanism of strength variations of the stabilized soil was also explained based on scanning electron microscope test. The investigations indicated that the strength of stabilized soil to resist failure has been improved, and the linear Mohr-Coulomb criteria can accurately reflect the shear strength of stabilized soil under various applied confining pressure. The increase in both curing age and cement mixing ratio were favorable to the growth of cohesion and internal friction angle. More importantly, the strength improvement mechanism of the stabilized soil is attributed to the formation of structural skeleton and the generation of cementitious hydration products within itself. Therefore, the investigations conducted in this study provide valuable references for chemical stabilization of warm and ice-rich frozen ground, thereby providing a basis for in-situ ground improvement for reinforcing warm and ice-rich permafrost foundations by soil-cement column installation.

关键词： Permafrost regions Frozen soil Mechanical behavior Chemical stabilization Ground improvement Ground modification

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Heralded entanglement between error-protected logical qubits for fault-tolerant distributed quantum computing

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Science China(Physics,Mechanics & Astronomy) 2024年第2期67卷 25-33页

作者： Jialun Li Zhihao Xie Yachen Li Yansen Liang zhenhua Li Tao Li MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing School of PhysicsNanjing University of Science and TechnologyNanjing 210094China National Laboratory of Solid State Microstructures Nanjing UniversityNanjing 210093China

Quantum error correction is essential for achieving reliable quantum information processing tasks,as it can mitigate the detrimental effects of noise by encoding single-qubit information into a larger quantum system.However,the generation of distributed entanglement between logical qubits located within two spatially separated nodes presents a significant resource-intensive challenge that has yet to be overcome.Here we present a heralded protocol for generating distributed entanglement between two nonlocal error-protected logical qubits.A high-dimensional single photon can evolve physical qubits into a logical qubit that entangles with the photon and then converts logical qubit-photon entanglement into entanglement between two logical qubits,when the photon state is properly tuned and an effective photon-spin interface between single photons and individual spins is exploited.Furthermore,the success of the entanglement generation is heralded by the detection of the photon,and the corresponding efficiency can,in principle,approach unity.These distinguished features make our protocol highly appealing for future large-scale quantum technologies.

关键词： quantum networks distributed entanglement error-protected logical qubits high-dimensional photons

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