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Metal-Organic Frameworks Housing Active Molecules as Bioinspired Catalysts

CCS Chemistry 2024年第6期6卷 1380-1402页

作者： Yin Zhang peter e.va.na.ta.junyu ren Shengqian Ma Department of Chemistry University of North TexasDentonTexas 76201 Department of Chemical and Biomolecular engineering National University of SingaporeSingapore 117585

Optimization of activity,selectivity,and stability of catalysts for practical application is a long-soughtafter *** progress in the advancement of rational catalyst design routinely takes queues from ***,enzymes are renowned for their high efficiency and selectivity in diverse and significant reactions under mild *** the well-known merits of enzymes,they often remain unsuitable for industrial catalysis due to issues,including limited environment(solvent/temperature/pH)compatibility,considerable structural uncertainty,and highly specific reaction *** the context of bioinspired catalysis design,the development of synthetic heterogeneous catalyst analogs,which may not only mimic enzymes to reproduce or even surpass their performance but also bypass their intrinsic limitations,is thus,desirable and has been extensively studied in the context of porous *** metal-organic framework(MOF)is a superior candidate for porous materials towards this goal,thanks to facile and modular preparation,explicit crystalline composition/structure,tunable pore size/environment,and excellent *** introduction of active molecular species such as bioactive molecules(e.g.,proteins,enzymes,peptides,amino acids,porphyrins)and chemically active molecules(e.g.,frustrated Lewis pairs)into metal-organic frameworks(MOFs)via pore encapsulation,chemical postmodification,or bottom-up construction has been shown to facilitate the cooperative enhancement of catalysis through the enforcement of proximity,enhancement of control/activity,and even inducement of unexpected *** this minireview,we sought to summarize the last 5 years of fruitful progress,exploiting MOFs housing active molecules for substantial catalysis applications,including asymmetric reactions,CO_(2)conversion(reduction,cycloaddition),biocatalytic H_(2)O_(2)/dye degradation,and so on,and discuss challenges and opportunities in the prospective exploration of these system

关键词： metal-organic framework bioinspired catalyst active molecular species

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Boundary-lubricated biomaterials with drug delivery for osteoarthritis treatment

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Friction 2024年第10期12卷 2167-2187页

作者： junyu WU Kaixuan ren Jingbo YIN Department of Polymer Materials School of Materials Science and EngineeringShanghai UniversityShanghai 200444China

The good lubrication ability of articular cartilage holds significant importance in our daily ***(OA),the most prevalent degenerative joint disease,causes cartilage damage,increased friction,and ***,the current clinical treatments for OA exhibit some ***,the sustained drug release systems with lubricating function have attracted considerable attention for treating *** review introduces the lubrication mechanism of cartilage,focusing particularly on the boundary lubrication *** research progress of boundary-lubricated biomaterials with drug delivery,including microcarriers,hydrogels,and nanoparticles in the treatment of OA by improving inter-articular lubrication and relieving inflammation is discussed and *** efficacy and challenges of boundary-lubricated biomaterials with drug delivery in the treatment of OA are summarized,and the prospects are also discussed.

关键词： osteoarthritis joint friction boundary lubrication hydration lubrication drug delivery

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Microscopic and spectroscopic analysis of atmospheric iron-containing single particles in Lhasa,Tibet

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Journal of environmental Sciences 2024年第7期141卷 40-50页

作者： junyu Chen Daobin Zhang Yiran Fu Jinhu Wang Xiaomei Cui Ci-ren Qu-zong Qiangying Zhang Chan Jin Bu Duo School of ecology and environment Tibet UniversityLhasa 850000China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China Institute of Tibetan Plateau Research Chinese Academy of SciencesBeijing 100101China

The Tibetan Plateau,known as the“Third Pole”,is currently in a state of perturbation caused by intensified human *** this study,56 samples were obtained at the five sampling sites in typical area of Lhasa city and their physical and chemical properties were investigated by TeM/eDS,STXM,and NeXAFS *** careful examination of 3387single particles,the results showed that Fe should be one of the most frequent metal *** Fe-containing single particles in irregular shape and micrometer size was about7.8%and might be mainly from local ***,the Fe was located on the subsurface of single particles and might be existed in the form of iron ***,the core-shell structure of iron-containing particles were about 38.8%and might be present as single-,dual-or triple-core shell structure and multi-core shell structure with the Fe/Si ratios of 17.5,10.5,2.9 and 1.2,***,iron and manganese were found to coexist with identical distributions in the single particles,which might induce a synergistic effect between iron and manganese in catalytic ***,the solid spherical structure of Fe-containing particles without an external layer were about 53.4%.The elements of Fe and Mn were co-existed,and might be presented as iron oxide-manganese oxide-silica ***,the ferrous and ferric forms of iron might be *** information can be valuable in expanding our understanding of Fe-containing particles in the Tibetan Plateau atmosphere.

关键词： Fe-containing single particle Irregular shape Core-shell structure Solid spherical structure Transmission electron microscopy Synchrotron X-ray microscopy

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Sparse identification-assisted exploration of the atomic-scale deformation mechanism in multiphase CoCrFeNi high-entropy alloys

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Science China(Technological Sciences) 2024年第4期67卷 1124-1132页

作者： XIAO Lu GUO XiaoXiang SUN YuTong WANG Gang LONG WeiMin LIAW peter K. ren JingLi School of Mathematics and Statistics Zhengzhou UniversityZhengzhou 450001China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing 100190China Institute of Materials Shanghai UniversityShanghai 200444China SKL of Advanced Brazing Metals&Technology Zhengzhou Research Institute of Mechanical EngineeringZhengzhou 450001China Department of Materials Science and engineering The University of TennesseeKnoxvilleTN 37996USA

This study investigated the atomic-scale deformation mechanism of multiphase CoCrFeNi high-entropy alloys(HeAs)at liquid helium,liquid nitrogen,and room temperatures.A million-atom multiphase HeA was prepared using molecular dynamics simulation involving melt and quench *** HeA exhibited high-density dislocations and some twins,consistent with experimental *** analysis revealed an inconsistent evolution of the microstructure under tensile *** particular,the elastic and initial plastic stages exhibited an increase in the disordered structure at the expense of the face-centered cubic and hexagonal close-packed structures,followed by a subsequent transformation involving multiple structural ***,through sparse identification,a model depicting microstructural evolution during tension was extracted for the CoCrFeNi HeA at three typical temperatures and three tensile *** model highlighted the importance of the body-centered cubic structure in the evolutionary process.

关键词： high-entropy alloy data-driven method microstructure evolution multiphase structure molecular dynamics simulation

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Wear-resistant CoCrNi multi-principal element alloy at cryogenic temperature

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Science Bulletin 2024年第2期69卷 227-236页

作者： Yue ren Qing Zhou Dongpeng Hua Zhuobin Huang Yulong Li Qian Jia peter Gumbsch Christian Greiner Haifeng Wang Weimin Liu State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi’an 710072China Institute for Applied Materials Karlsruhe Institute of TechnologyKarlsruhe 76131Germany IAM-ZM MicroTribology CenterμTC Karlsruhe Institute of TechnologyKarlsruhe 76131Germany Fraunhofer IWM Freiburg 79108Germany State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China

Traditional high strength engineering alloys suffer from serious surface brittleness and inferior wear performance when servicing under sliding contact at cryogenic ***,we report that the recently emerging CoCrNi multi-principal element alloy defies this trend and presents dramatically enhanced wear resistance when temperature decreases from 273 to 153 K,surpassing those of cryogenic austenitic *** temperature-dependent structure characteristics and deformation mechanisms influencing the cryogenic wear resistance of CoCrNi are clarified through microscopic observation and atomistic *** is found that sliding-induced subsurface structures show distinct scenarios at different deformation *** cryogenic condition,significant grain refinement and a deep plastic zone give rise to an extended microstructural gradient below the surface,which can accommodate massive sliding deformation,in direct contrast to the strain localization and delamination at 273 ***,the temperature-dependent cryogenic deformation mechanisms(stacking fault networks and phase transformation)also provide additional strengthening and toughening of the subsurface *** features make the CoCrNi alloy particularly wear resistant at cryogenic conditions and an excellent candidate for safety–critical applications.

关键词： Multi-principal element alloy Cryogenic temperature Wear CoCrNi

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High-Performance and Large-Area Inverted Perovskite Solar Cells Based on NiO_(x) Films enabled with A Novel Microstructure-Control Technology

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energy & environmental Materials 2024年第1期7卷 153-159页

作者： Guibin Shen Xin Li Yuqin Zou Hongye Dong Dongping Zhu Yanglin Jiang Xin ren Ng Fen Lin peter Müller-Buschbaum Cheng Mu Key Laboratory of Advanced Light Conversion Materials and Biophotonics Department of ChemistryRenmin University of ChinaBeijing 100872China Solar energy Research Institute of Singapore(SeRIS) National University of SingaporeSingapore 117574Singapore Physik-Department Lehrstuhl für Funktionelle MaterialienTechnische Universität MünchenJames-Franck-Straße 185748Garching Germany Heinz Maier-Leibnitz Zentrum(MLZ) Technische Universität MünchenLichtenbergstr.185748Garching Germany

The improvement in the efficiency of inverted perovskite solar cells(PSCs)is significantly limited by undesirable contact at the NiO_(x)/perovskite *** this study,a novel microstructure-control technology is proposed for fabrication of porous NiO_(x)films using Pluronic P123 as the structure-directing agent and acetylacetone(AcAc)as the coordination *** synthesized porous NiO_(x)films enhanced the hole extraction efficiency and reduced recombination defects at the NiO_(x)/perovskite ***,without any modification,the power conversion efficiency(PCe)of the PSC with MAPbl_(3)as the absorber layer improved from 16.50%to 19.08%.Moreover,the PCe of the device composed of perovskite Cs0.05(MA_(0.15)FA_(0.85))_(0.95)Pb(I_(0.85)Br_(0.15))_(3)improved from 17.49%to 21.42%.Furthermore,the application of the fabricated porous NiO_(x)on fluorine-doped tin oxide(FTO)substrates enabled the fabrication of large-area PSCs(1.2 cm^(2))with a PCe of 19.63%.This study provides a novel strategy for improving the contact at the NiO_(x)/perovskite interface for the fabrication of high-performance large-area perovskite solar cells.

关键词： interfacial contact inverted and large-area perovskite solar cells photovoltaic materials porous NiO_(x)films renewable energy

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effect of Magnetic Field Configuration on Stray-Crystal Formation with Different Platform Sizes during Directional Solidification of Single-Crystal Superalloy

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Acta Metallurgica Sinica(english Letters) 2024年第5期37卷 904-914页

作者： Keke Lu Congjiang Zhang Xiaotan Yuan Hongbin Yu Weili ren Biao Ding Haibiao Lu Yunbo Zhong Zuosheng Lei Hui Wang Qiuliang Wang peter KLiaw Xuezhi Qin Lanzhang Zhou State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced FerrometallurgyShanghai UniversityShanghai 200444China Institute of electrical engineering Chinese Academy of SciencesBeijing 100190China Department of Materials Science and engineering The University of TennesseeKnoxvilleTN 37996USA Institute of Metal Research Chinese Academy of SciencesShenyang 110016China

The magnetic field is an effective means to control the solidification structure and the defects of metal and semiconductor *** work investigates the effects of Cusp magnetic field(CMF)and longitudinal magnetic field(LMF)on the stray-crystal formation in the platform regions during the directional solidification of single-crystal superalloy with the different cross section *** application of CMF reduces the formation of platform stray-crystal,while LMF increases its *** the platform size increases,the stray-crystal ratio increases regardless of whether the magnetic fields are applied or not,the effectiveness of CMF increases,while that of LMF *** reason that the effects of CMF and LMF on the platform stray-crystal formation could be attributed to the change of flow structure from the distribution characteristics of the thermoelectric magnetic force and the magnetic damping force near the liquid-solid interface.

关键词： Stray-crystal Magnetic field Single-crystal superalloy Cross section change Directional solidification

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基于场景划分的智能网联汽车协同换道避障方法

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汽车工程 2024年第5期46卷 745-753页

作者：周俊宇李克强任晗啸于杰罗禹贡清华大学车辆与运载学院汽车安全与节能国家重点实验室北京100084

为解决传统基于V2V通信的两车协同换道对于前方交通存在未知交通情况,及周围车辆信息获知不准确情况下换道成功率低且无法保证交通效率最优的问题,本文提出了一种基于场景划分的ICV两阶段协同换道避障方法。首先,将换道过程划分为纵向... 详细信息

为解决传统基于V2V通信的两车协同换道对于前方交通存在未知交通情况,及周围车辆信息获知不准确情况下换道成功率低且无法保证交通效率最优的问题,本文提出了一种基于场景划分的ICV两阶段协同换道避障方法。首先,将换道过程划分为纵向间距调整阶段与横向换道阶段,分别使用四次多项式与五次多项式描述两个阶段ICV的轨迹;其次,根据纵向间距调整结束时刻车辆的相对位置设计了4种场景,并设计以车辆调整末速度、距离与换道时间为目标函数的换道模型,在保证换道成功率的同时减少换道行为对上游交通产生的影响;最后,为了验证算法的有效性,在4种场景下分别设计可行工况,并对间距调整过程进行速度-时间与距离-时间关系图进行分析,证明间距调整过程均满足安全约束;同时,本文通过遍历循环计算换道避障算法的边界值,说明了ICV换道避障成功率与车间距、车辆与障碍物间距之间具有相关性。

关键词：智能网联汽车换道避障轨迹规划边界分析

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基于模拟-建模研究化学与温度对难熔高熵合金力学行为和变形机制的影响

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Acta Mechanica Sinica 2024年第2期40卷 103-115页

作者：李甲任思危刘彬 peter K.Liaw 方棋洪 State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body College of Mechanical and Vehicle EngineeringHunan UniversityChangsha410082China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha410083China Department of Materials Science and engineering The University of TennesseeKnoxville37996USA

难熔高熵合金在高温下表现出优异的性能,突破了传统高温合金的工作温度上限.我们采用原子模拟研究了化学元素分布和温度对等原子比MoNbtaW难熔高熵合金变形机制的影响.根据微观结构演化,建立了基于微观结构的本构模型,定量评估多种强化... 详细信息

难熔高熵合金在高温下表现出优异的性能,突破了传统高温合金的工作温度上限.我们采用原子模拟研究了化学元素分布和温度对等原子比MoNbtaW难熔高熵合金变形机制的影响.根据微观结构演化,建立了基于微观结构的本构模型,定量评估多种强化机制的贡献.结果表明,应变硬化后,流动应力随应变呈锯齿状剧烈波动.由于退火结构的溶质浓度降低,温度升高降低了应变硬化率和流动应力波动幅度.变形孪晶在变形机制中起着关键作用,能够通过位错基塑性和晶粒中的非晶形核进一步调节局部变形.有序结构的存在强烈影响了应力和应变分配.固溶强化和晶界强化对流动应力的贡献很大,孪晶强化对流动压力的贡献很小.原子模拟和力学模型为深入理解难熔高熵合金变形行为及性能的精确预测提供依据.

关键词：流动应力固溶强化强化机制高温合金高熵合金变形机制晶界强化溶质浓度

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面向进出站强制换道过程的智能网联公交车两车协同换道策略

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清华大学学报（自然科学版） 2024年第8期64卷 1456-1468页

作者：任晗啸罗禹贡关书睿于杰周俊宇李克强清华大学智能绿色车辆与交通全国重点实验室北京100084

目前针对智能网联公交车换道策略的研究多基于单车智能实现,缺少对周围车辆的考虑,难以处理车间冲突,无法同时保障公交车进出站强制换道的安全性和成功率,且容易对上游交通造成影响。该文旨在面向公交车进出站强制换道过程,提出一种基... 详细信息

目前针对智能网联公交车换道策略的研究多基于单车智能实现,缺少对周围车辆的考虑,难以处理车间冲突,无法同时保障公交车进出站强制换道的安全性和成功率,且容易对上游交通造成影响。该文旨在面向公交车进出站强制换道过程,提出一种基于云控系统的两车协同换道策略。针对进站过程,建立了基于换道收益准则的换道决策模型,制定了包含纵向调整、协同换道的两段式滚动时域轨迹规划方法,并基于分层二次规划改善算法实时性;针对出站过程,采用基于规则的决策方法和提前减速策略,制定了考虑港湾式车站特点的轨迹规划方法,以适应车站形状和公交车机动性的要求。仿真和硬件在环实验表明:该策略能够有效提升公交车进出站强制换道的成功率,并在保障换道安全的同时降低对上游交通的影响,且在真实云平台的运算、通信环境下具备可用性。

关键词：智能网联汽车公交车强制换道协同换道

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