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The Effects of Boron-Doping on the Electronic Properties of Blue Phosphorene

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Graphene 2021年第3期10卷 41-47页

作者： Yejin Wu Kexin Ma Zhiyong Wang xueqiong dai College of Science Guilin University of Technology Guilin China Yejin Wu

In this paper, the effects of different boron (nitrogen)-doping on the electronic properties of blue phosphorene have been investigated by the first- principles calculations. We have taken eight doping configurations into account, the calculated results show that the bond length of P-B is decreasing with the doping concentration increasing. For the four boron atoms doping configuration, the geometric structure appears the distinct distortion. The band gap is decreasing with the doping concentration increasing, and it appears the transition from indirect band gap to direct band gap for boron doping configurations. It is hoped that the calculated results may be useful for designing electronic devices based on blue phosphorene.

关键词： Blue Phosphorene Boron-Doping Band Gap

Approach from the laboratory to the field: New strategies in the control of mosquito-borne infectious diseases

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Science China(Life Sciences) 2025年第1期68卷 303-305页

作者： Ziqian Xu Lianpan dai Jun Liu National Key Laboratory of Intelligent Tracking and Forecasting for Infectious Diseases(NITFID) National Institute for Viral Disease Control and PreventionChineseCenter for Disease Control and PreventionBeijing 102206China CAS Key Laboratory of Pathogen Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing 100101China

Vector-borne viruses,transmitted among humans and animal hosts through bites of vectors such as mosquitoes and ticks,pose a great and ongoing threat to public health and biosafety(Yang et al.,2022).Among them,dengue virus-induced epidemics,have dramatically increased worldwide in recent *** report released by the World Health Organization(WHO)at the end of 2023 showed that dengue epidemic globally surged in 2023,with the number of reported cases nearing a historical *** the first four months of 2024,more than 6 million people worldwide were infected by dengue virus,with more than 2,000 *** countries around the world especially the American countries issued warnings,reporting three times the number of dengue cases compared with the same period last *** global climate change,population growth,and urbanization,flaviviral diseases transmitted by Aedes mosquitoes remain a major global biosecurity challenge.

关键词： diseases globally

Research status and prospects of the fractal analysis of metal material surfaces and interfaces

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 20-38页

作者： Qinjin dai Xuefeng Liu Xin Ma Shaojie Tian Qinghe Cui Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China Beijing Laboratory of Metallic Materials and Processing for Modern Transportation University of Science and Technology BeijingBeijing 100083China Laboratory for Advanced Materials Processing of Ministry of Education University of Science and Technology BeijingBeijing 100083China School of Mechanical and Electrical Engineering Xinjiang Institute of EngineeringUrumqi 830023China

As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine *** analysis has been used to characterize the shapes of metal materials at various scales and *** methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and ***,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal *** the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear *** relationship between the fractal dimensions and properties of metal material surfaces and interfaces is *** from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be *** is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.

关键词： metal material surfaces and interfaces fractal analysis fractal dimension homogeneity

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Nb_(2)NS_(2)材料锚固性能研究

科学技术创新 2022年第26期 1-4页

作者：零昌盛戴学琼桂林理工大学理学院广西桂林541004

针对电池使用和研究过程中出现的相关问题,探讨了Nb_(2)NS_(2)材料对“穿梭效应”的抑制效果。通过第一性原理计算对Nb_(2)N和Nb_(2)NS_(2)材料和S_(8)和Li_(2)S_(n)的吸附能,吸附能组成成分以及内在机理进行研究。结果表明,原始的Nb_(2... 详细信息

针对电池使用和研究过程中出现的相关问题,探讨了Nb_(2)NS_(2)材料对“穿梭效应”的抑制效果。通过第一性原理计算对Nb_(2)N和Nb_(2)NS_(2)材料和S_(8)和Li_(2)S_(n)的吸附能,吸附能组成成分以及内在机理进行研究。结果表明,原始的Nb_(2)N-MXene材料锚固多硫化锂时由于吸附能过高导致S_(8)和Li_(2)S_(n)分解,经过表面修饰的Nb_(2)NS_(2)具有理想的吸附性能和导电性能,能有效提高锂硫电池的电化学性能和库伦效率。

关键词： Nb_(2)NS_(2)材料锚固性研究

Emerging trends in the selective production of value-added aromatics

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Science China Chemistry 2025年第1期68卷 15-20页

作者： Yuchao Wu Houliang dai Weisheng Yang Yaxing Li Lichen Liu Petrochemical Research Institute Company Limited China National Petroleum CorporationBeijing 102206China Engineering Research Center of Advanced Rare Earth Materials Department of ChemistryTsinghua UniversityBeijing 100084China

1 Introduction Aromatics(mainly benzene,toluene,and xylenes,BTX)are essential intermediates in the chemical *** are employed in the synthesis of a broad spectrum of chemicals and materials,e.g.,various polymers,plastics,resins,solvents,dyes,pharmaceuticals^([1]).The manufacturing pathway of BTX mainly includes petroleum reforming of naphtha,coal-to-aromatics,methanol-to-aromatics^([2]).

关键词： reforming methanol resins

Predictability Study of Weather and Climate Events Related to Artificial Intelligence Models

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Advances in Atmospheric Sciences 2025年第1期42卷 1-8页

作者： Mu MU Bo QIN Guokun dai Department of Atmospheric and Oceanic Sciences&Institute of Atmospheric Sciences Fudan UniversityShanghai 200438China Shanghai Key Laboratory of Ocean-land-atmosphere Boundary Dynamics and Climate Change Fudan UniversityShanghai 200438China Shanghai Frontiers Science Center of Atmosphere-Ocean Interaction Fudan UniversityShanghai 200438China CMA-FDU Joint Laboratory of Marine Meteorology Shanghai 200438China Key Laboratory of Polar Atmosphere-ocean-ice System for Weather and Climate Ministry of EducationShanghai 200438China

Conducting predictability studies is essential for tracing the source of forecast errors,which not only leads to the improvement of observation and forecasting systems,but also enhances the understanding of weather and climate *** the past few decades,dynamical numerical models have been the primary tools for predictability studies,achieving significant ***,with the advances in artificial intelligence(AI)techniques and accumulations of vast meteorological data,modeling weather and climate events using modern data-driven approaches is becoming trendy,where FourCastNet,Pangu-Weather,and GraphCast are successful *** this perspective article,we suggest AI models should not be limited to forecasting but be expanded to predictability studies,leveraging AI's advantages of high efficiency and self-contained optimization *** this end,we first remark that AI models should possess high simulation capability with fine spatiotemporal resolution for two kinds of predictability *** models with high simulation capabilities comparable to numerical models can be considered to provide solutions to partial differential equations in a data-driven ***,we highlight several specific predictability issues with well-determined nonlinear optimization formulizations,which can be well-studied using AI models,holding significant scientific *** addition,we advocate for the incorporation of AI models into the synergistic cycle of the cognition–observation–model *** predictability studies have the potential to transform“big data”to“big and better data”and shift the focus from“AI for forecasts”to“AI for science”,ultimately advancing the development of the atmospheric and oceanic sciences.

关键词： predictability artificial intelligence models simulation and forecasting nonlinear optimization cognition–observation–model paradigm

A Multi-Objective Particle Swarm Optimization Algorithm Based on Decomposition and Multi-Selection Strategy

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Computers, Materials & Continua 2025年第1期82卷 997-1026页

作者： Li Ma Cai dai Xingsi Xue Cheng Peng School of Computer Science Shaanxi Normal UniversityXi’an710119China Fujian Provincial Key Laboratory of Big Data Mining and Applications Fujian University of TechnologyFuzhou350118China Information Construction and Management Center and Institute of Artificial Intelligence and Educational New Productivity Ningxia Normal UniversityGuyuan756099China

The multi-objective particle swarm optimization algorithm(MOPSO)is widely used to solve multi-objective optimization *** the article,amulti-objective particle swarm optimization algorithmbased on decomposition and multi-selection strategy is proposed to improve the search ***,two update strategies based on decomposition are used to update the evolving population and external archive,***,a multiselection strategy is *** first strategy is for the subspace without a non-dominated *** the neighbor particles,the particle with the smallest penalty-based boundary intersection value is selected as the global optimal solution and the particle far away fromthe search particle and the global optimal solution is selected as the personal optimal solution to enhance global *** second strategy is for the subspace with a non-dominated *** the neighbor particles,two particles are randomly selected,one as the global optimal solution and the other as the personal optimal solution,to enhance local *** third strategy is for Pareto optimal front(PF)discontinuity,which is identified by the cumulative number of iterations of the subspace without non-dominated *** the subsequent iteration,a new probability distribution is used to select from the remaining subspaces to ***,an adaptive inertia weight update strategy based on the dominated degree is designed to further improve the search ***,the proposed algorithmis compared with fivemulti-objective particle swarm optimization algorithms and five multi-objective evolutionary algorithms on 22 test *** results show that the proposed algorithm has better performance.

关键词： Multi-objective optimization multi-objective particle swarm optimization decomposition multi-selection strategy

Biomimetic Micro-Nanostructured Evaporator with Dual-Transition-Metal MXene for Efficient Solar Steam Generation and Multifunctional Salt Harvesting

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Nano-Micro Letters 2025年第5期17卷 16-36页

作者： Ruiqi Xu Hongzhi Cui Na Wei Yang Yu Lin dai Xiaohua Chen College of Materials Science and Engineering Ocean University of ChinaQingdao 266100People’s Republic of China College of Materials Science and Engineering Shandong University of Science and TechnologyQingdao 266590People’s Republic of China

Solar-driven interfacial evaporation is one of the most attractive approaches to addressing the global freshwater ***,achieving an integrated high evaporation rate,salt harvesting,and multifunctionality in evaporator is still a crucial ***,a novel composite membrane with biomimetic micronanostructured superhydrophobic surface is designed via ultrafast laser etching ***,the double-transition-metal(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene nanomaterials as a photothermal layer,exhibiting the enhanced photothermal conversion performance due to elevated joint densities of states,which enables high populations of photoexcited carrier relaxation and heat release,provides a new insight into the photothermal conversion mechanism for multiple principal element ***,the(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene-200 composite membrane can achieve a high evaporation rate of 2.23 kg m^(−2)h^(−1)under one sun,owing to the enhanced“light trap”effect,photothermal conversion,and high-throughput water ***,the membrane can induce the directed precipitation of salt at the membrane edge,thus enabling salt harvesting for recycling and zero-emission of brine ***,the composite membrane is endowed with excellent multifunctionality of anti-/de-icing,anti-fouling,and antibacterial,overcoming the disadvantage that versatility is difficult to be ***,the evaporator and the promising strategy hold great potential for the practical application of solar evaporation.

关键词： Double‐transition‐metal MXene Micro-nanostructures Solar steam generation Salt harvesting Multifunctionality

Ingenious construction of a magnetic-recyclable photo-Fenton catalyst ZnFe_(2)O_(4)@MIL-88A(Fe)and its adsorption-degradation activity toward levofloxacin

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Journal of Environmental Sciences 2025年第5期151卷 677-691页

作者： Xichen Mi Tingwei Wang Yitong Chen Dan Cao Na Ma Wei dai Key Laboratory of the Ministry of Education for Advanced Catalysis Materials College of Chemistry and Materials ScienceZhejiang Normal UniversityJinhua 321004China Jinhua Customs Comprehensive Technology Service Center Jinhua 321004China College of Geography and Environmental Sciences Zhejiang Normal UniversityJinhua 321004China

Monotonic pore size and particles inseparability of metal-organic frameworks(MOFs)caused serious effects on its light absorption ability and charge separation,restricting its application for antibiotic such as levofloxacin(LEV)degradation in *** this study,a magnetically detachable nano-photocatalyst(ZnFe_(2)O_(4)@MIL-88A(Fe))was synthesized using a simple two-step hydrothermal *** morphology and microstructure analyses showed that n-type ZnFe_(2)O_(4)catalyst particleswere efficiently assembled onto the surface of MIL-88A(Fe)*** activity studies indicated that the ZnFe_(2)O_(4)@MIL-88A(Fe)plus H_(2)O_(2)exhibiting a significantly boosted photo-Fenton activity toward LEV at visible light irradiation,compared to the pure ZnFe_(2)O_(4)and MIL-88A(Fe),the degradation efficiency accordingly reached up to nearly 82%and 25%within 60 *** excellent photocatalytic performance was ascribed to the synergistic effects of the heterogeneous structure of ZnFe_(2)O_(4)and MIL-88A(Fe),whereby the efficient separation of charge carriers in the catalytic system is mutually reinforced with the efficient reduction of Fe^(3+)and Fe^(2+).Meanwhile,the degradationmechanism and intermediates of LEV during the photo-Fenton reaction process were also studied in depth through free radical burst,electron paramagnetic resonance,and mass spectrometry analyses,***,the ZnFe_(2)O_(4)@MIL-88A(Fe)composite catalyst displayed significant stability and ease of separation,indicating potential for the photooxidative degradation of organic pollutants.

关键词： ZnFe_(2)O_(4) MIL-88A(Fe) Magnetism Photo-Fenton Levofloxacin