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Metal-organic frameworks with dinuclear metal centers for synergistically boosting CO2 photoreduction

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Science China Chemistry 2025年第1期68卷 201-208页

作者： hui-feng Wang Wen-Jie Shi Yu-Xin Yang Bao-Xia Dong Tong-Bu Lu Di-Chang Zhong School of Chemistry and Chemical Engineering Yangzhou University Institute for New Energy Materials and Low Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology

Dinuclear metal synergistic catalysis （DMSC） has been proved powerful in boosting CO2reduction,while this has not been achieved in heterogeneous catalysts with long-range order *** this study,we,by introduction of metal catalytic centers into an indium-based metal-organic framework （MOF）,obtained a series of isostructural In-MOFs,including three MOFs with mononuclear metal catalytic center （M-In）,three MOFs with dinuclear homometallic catalytic centers （MM-In）,and three MOFs with dinuclear heterometallic catalytic centers (MM’-In,M/M’=Co（II）,Ni（II）,Zn（II）).It was found that all these MOFs can serve as catalysts for photochemical CO2reduction to *** with M-In,the catalytic activities of MM-In were obviously enhanced,and that of MM’-In was further significantly *** example,the CO yield of Co Zn-In reaches a record value of 12,700μmol g-1h-1,which is 4.0,8.1,9.4,and 18.6-fold higher than that of Co Co-In,Zn Zn-In,Co-In,and Zn-In,***,the catalytic activities of Co Ni-In and Ni Zn-In also show different fold increase than those of corresponding dinuclear homometallic and mononuclear metallic *** results of control experiments and theoretical calculation reveal that the higher catalytic activities of MM-In over M-In can be ascribed to the DMSC effect,and the higher catalytic activity of MM’-In over MM-In can be ascribed to the strengthened DMSC *** work reveals the relationship between DMSC effect and bimetal centers in CO2reduction,which provides new insights into the DMSC and paves a new way to design highly active catalysts for photochemical CO2reduction.

关键词： metal-organic frameworks dinuclear metal centers synergistic catalysis CO2 reduction photocatalysis

Modular assembly of Co4-thiacalix[4]arene units and Keggin-type SiW12O40 for visible-light photothermal conversion

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Tungsten 2025年第1期7卷 112-119页

作者： Jia-hui Li Qing Zhao Dong-Ao Mao Kun Zhou Bao-Kuan Chen Yan-feng Bi School of Petrochemical Engineering Liaoning Petrochemical University

The construction of metal-organic coordination clusters（MCCs） using modular secondary building units is an important method for preparing functional *** this study,two new MCCs modularly assembled from Keggin-type {SiW12O40}H4TC4A=p-tert-Butylthiacalix[4]arene(SiW12) units and thiacalixarene-supported Co4-thiacalix[4]arene(Co4-TC4A polynuclear second-building units（PSBUs,H4TC4A=p-tert-Butylthiacalix[4]arene） are *** two MCCs,abbreviated as Co4-SiW12and Co8-SiW12,were structurally characterized by single-crystal X-ray *** Co4-SiW12is a supramolecular structure involving cation-anion interactions between Co4-TC4A PSBUs and ***8-SiW12features "barbell-like" shapes with two Co4-TC4A coordinatively linked to a Keggin-type SiW12unit on opposite via W-O_t-Co *** coordination of Co4-TC4A to SiW12in Co8-SiW12resulted in significantly improved photothermal conversion performances compared with Co4-SiW12and pure SiW12or ***-gap determination and photophysical analysis combined with density functional theory calculations indicated the binding mode between Co4-TC4A PSBUs and SiW12,which considerably influences the way of electron transport and the conversion ability of visible light to heat.

关键词： Modular construction Photothermal conversion Polyoxometalate Thiacalixarene

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基于伪类光超曲面奇点分类的教学研究

数学的实践与认识 2016年第20期46卷 259-264页

作者：孙建国张会娜吕锋中国石油大学(华东)理学院山东青岛266580

在微分几何的教学中,曲线,曲面理论是最主要的基础理论知识.欧氏空间中密切曲线在微分几何学中具有重要的研究价值.主要运用具有类光向量的费雷内标架讨论在四维Minkowski空间中与欧氏空间不同的一类特殊密切曲线(伪类光曲线)的一些几... 详细信息

在微分几何的教学中,曲线,曲面理论是最主要的基础理论知识.欧氏空间中密切曲线在微分几何学中具有重要的研究价值.主要运用具有类光向量的费雷内标架讨论在四维Minkowski空间中与欧氏空间不同的一类特殊密切曲线(伪类光曲线)的一些几何性质,同时通过横截性原理给出了由伪类光曲线生成的伪类光超曲面的局部几何性质与奇点分类.

关键词：伪类光超曲面 Minkowski空间奇点高度函数通有性

HCCI条件下柴油机缸外喷射及燃烧的数值模拟

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大连海事大学学报 2008年第Z1期34卷 64-67页

作者：回凤娜梁桂华徐莉大连理工大学内燃机研究所辽宁大连116024

设计了在进气道处增加Laval喷管来改变喷油参数,促进燃油与空气混合,以实现HCCI的燃烧条件.使用Star-CD软件对此设计过程的柴油机喷射及燃烧进行数值模拟试验.计算结果表明:利用Laval管实现进气道超音速气流方式喷射燃油(称为前者)其粒... 详细信息

设计了在进气道处增加Laval喷管来改变喷油参数,促进燃油与空气混合,以实现HCCI的燃烧条件.使用Star-CD软件对此设计过程的柴油机喷射及燃烧进行数值模拟试验.计算结果表明:利用Laval管实现进气道超音速气流方式喷射燃油(称为前者)其粒子直径的分布范围比缸内直喷方式(称为后者)要均匀的多,也小得多;后者燃油蒸发速度比前者要快;前者因缸内燃油浓度过分均匀而导致压燃时温度较低.分析认为,此方法可使燃油雾化效果明显增强,但并未引起燃烧温度的剧烈变化.

关键词：柴油机 Laval喷管超音速进气道喷射数值模拟缸内直喷

Atmospheric reductive catalytic fractionation of lignocellulose integrated with one-pot catalytic conversion of carbohydrate yielding valuable lignin monomers and platform chemicals from corn straw

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Green Energy & Environment 2025年第1期10卷 161-172页

作者： Meng-Ying Liu Zhe-hui Zhang Xue-Qi Wang Qian Sun Chen Zhang Yu Li Zhuohua Sun Katalin Barta feng Peng Tong-Qi Yuan State Key Laboratory of Efficient Production of Forest Resources Beijing Forestry UniversityBeijing100083China Beijing Key Laboratory of Lignocellulosic Chemistry Beijing Forestry UniversityBeijing100083China Department of Chemistry Organic and Bioorganic ChemistryUniversity of GrazHeinrichstrasse 28/II8010 GrazAustria

Developing a cost-effective and environmentally friendly process for the production of valuable chemicals from abundant herbal biomass receives great attentions in recent ***,taking advantage of the“lignin first”strategy,corn straw is converted to valuable chemicals including lignin monomers,furfural and 5-methoxymethylfurfural via a two steps *** key of this research lies in the development of a green and low-cost catalytic process utilizing magnetic Raney Ni catalyst and high boiling point ethylene *** utilization of neat ethylene glycol as the sole slovent under atmospheric conditions obviates the need for additional additives,thereby facilitating the entire process to be conducted in glass flasks and rendering it highly convenient for scaling *** the initial step,depolymerization of corn straw lignin resulted in a monomer yield of 18.1 wt%.Subsequently,in a dimethyl carbonate system,the carbohydrate component underwent complete conversion in a one-pot process,yielding furfural and 5-methoxymethylfurfural as the primary products with an impressive yield of 47.7%.

关键词： Atmospheric reductive catalytic fractionation Corn straw Ethylene glycol Raney Ni 5-Methoxymethylfurfural

An Efficient Boron Source Activation Strategy for the Low‑Temperature Synthesis of Boron Nitride nanotubes

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nano-Micro Letters 2025年第1期17卷 548-558页

作者： Ying Wang Kai Zhang Liping Ding Liyun Wu Songfeng E Qian He nanyang Wang hui Zuo Zhengyang Zhou feng Ding Yue Hu Jin Zhang Yagang Yao national Laboratory of Solid State Microstructures College of Engineering and Applied SciencesJiangsu Key Laboratory of Artificial Functional Materialsand Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093People’s Republic of China School of Electronic Information and Artificial Intelligence Shaanxi University of Science&TechnologyXian 710000People’s Republic of China College of Bioresources Chemical and Materials Engineering Shaanxi University of Science&TechnologyXian 710000People’s Republic of China Key Laboratory of Carbon Materials of Zhejiang Province College of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325000People’s Republic of China Shenzhen Institutes of Advanced Technology Chinese Academy of SciencesShenzhen 518000People’s Republic of China College of Chemical and Molecular Engineering Peking UniversityBeijing 100871People’s Republic of China

Lowering the synthesis temperature of boron nitride nanotubes(BNNTs)is crucial for their *** primary reason for adopting a high temperature is to enable the effective activation of highmelting-point solid *** this study,we developed a novel approach for efficiently activating boron by introducing alkali metal compounds into the conventional MgO–B *** approach can be adopted to form various low-melting-point AM–Mg–B–O growth *** growth systems have improved catalytic capability and reactivity even under low-temperature conditions,facilitating the synthesis of BNNTs at temperatures as low as 850℃.In addition,molecular dynamics simulations based on density functional theory theoretically demonstrate that the systems maintain a liquid state at low temperatures and interact with N atoms to form BN *** findings offer novel insights into the design of boron activation and are expected to facilitate research on the low-temperature synthesis of BNNTs.

关键词： Boron nitride nanotubes Low-temperature Boron activation Density functional theory

Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi feng Guimin Lu national Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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基于矢量法的气缸盖水腔流场数值分析

车用发动机 2008年第4期 36-39页

作者：梁桂华肖春涛回凤娜叶剑大连理工大学动力系内燃机研究所辽宁大连116024

利用CFD软件STAR-CD对同种型号4缸柴油机两种不同结构的气缸盖冷却水腔进行速度场的模拟分析比较,分别得出了具有切向进气道和螺旋进气道气缸盖冷却水腔的速度分布特点,采用一种新方法对多个切面进行速度矢量的比较,速度场更加直观,由... 详细信息

利用CFD软件STAR-CD对同种型号4缸柴油机两种不同结构的气缸盖冷却水腔进行速度场的模拟分析比较,分别得出了具有切向进气道和螺旋进气道气缸盖冷却水腔的速度分布特点,采用一种新方法对多个切面进行速度矢量的比较,速度场更加直观,由此判定两种结构的气缸盖水腔在速度分布方面的优缺点及其对温度分布的影响。

关键词：气缸盖切向进气道螺旋进气道数值模拟速度分布

Observation of acoustic hybrid topological phases induced by the p-d orbital interactions

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 132-139页

作者： Xiao Xiang feng Gao Yu-Gui Peng Peng Wu Zong-Lin Li Xue-feng Zhu School of Physics and Innovation Institute Huazhong University of Science and Technology

In spinless systems,growing attention has recently been attracted to synthetic gauge fields,which redefine the fundamental crystal symmetries by utilizing the projective algebraic ***,synthetic gauge fields have been commonly investigated in single orbital systems,and explorations on hybrid orbitals remain elusive in ***,we report the experimental observation of hybrid topological phases induced by hybrid synthetic gauge flux,which is formed by the interaction between p and d orbitals embedded in acoustic *** breaking the translation symmetries of Lxand/or Ly,we unambiguously demonstrate the first-order M?bius edge states and higher-order corner *** work establishes a platform for seeking exotic topological phases induced by hybrid-orbitals interactions and initializing the framework of hybrid-orbitalsrelated topological *** applications can be anticipated in scenarios such as high-quality sensing and robust wave trapping due to the stepwise energy distribution of the hybrid topological phase.

关键词： topological insulator synthetic gauge field projective symmetry corner states