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Simultaneous diffusion of cation and anion to access N,S cocoordinated Bi-sites for enhanced CO_(2) electroreduction

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Nano Research 2021年第8期14卷 2790-2796页

作者： Zhiyuan Wang Chun Wang Yidong Hu Shuai Yang Jia Yang Wenxing Chen Huang Zhou Fangyao Zhou Lingxiao Wang Junyi Du Yafei Li Yuen Wu School of Chemistry and Materials Science Hefei National Laboratory for Physical Sciences at the MicroscaleUniversity of Science and Technology of ChinaHefei 230026China Jiangsu Collaborative Innovation Centre of Biomedical Functional Materials Jiangsu Key Laboratory of New Power BatteriesSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023China Dalian National Laboratory for Clean Energy Dalian 116023China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201210China Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Institutes of Physical Science and Information Technology Key Laboratory of Structure and Functional Regulation of Hybrid MaterialsMinistry of EducationAnhui Graphene Engineering LaboratoryAnhui UniversityHefei 230601China

Developing highly active single-atom sites catalysts for electrochemical reduction of CO_(2) is an effective and environmental-friendly strategy to promote carbon-neutral energy cycle and ameliorate global climate ***,we develop an atomically dispersed N,S co-coordinated bismuth atom sites catalyst(Bi-SAs-NS/C)via a cation and anion simultaneous diffusion strategy for electrocatalytic CO_(2) *** this strategy,the bonded Bi cation and S anion are simultaneously diffused into the nitrogen-doped carbon layer in the form of *** Bi is captured by the abundant N-rich vacancies and S is bonded with *** at high temperature,formed the N,S co-coordinated Bi *** from the simultaneous diffusion of Bi and S,different electronegative N and S can be effectively co-coordinated with Bi,forming the uniform Bi-N_(3)S/C *** ***-SAs-NS/C exhibits a high selectivity towards CO with over 88%Faradaic efficiency in a wide potential range,and achieves a maximum FE_(CO)of 98.3%at-0.8 V *** with a current density of 10.24 mA·cm^(-2),which can keep constant with negligible degradation in 24 h continuous *** results and theoretical calculations reveal that the significantly improved catalytic performance of Bi-SAs-NS/C than Bi-SAs-N/C is ascribed to the replacement of one coordinated-N with low electronegative S in Bi-N_(4)C center,which can greatly reduce the energy barrier of the intermediate formation in rate-limiting step and increase the reaction *** work provides an effective strategy for rationally designing highly active single-atom sites;catalysts for efficient electrocatalysis with optimized electronic structure.

关键词： S,N-co-doped carbon nanotube single bismuth sites electronic structure modulation electrochemical CO_(2)reduction

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A Deep Learning Framework Based on Attention Mechanism for Predicting The Mechanical Properties and Failure Pattern of Embedded Wrinkle Fiber-Reinforced composites

SSRN

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SSRN 2023年

作者： Liu, Chen Li, Xuefeng Ge, Jingran Liu, XiaoDong Li, BingYao Liu, ZengFei Liang, Jun Institute of Advanced Structure Technology Beijing Institute of Technology Beijing100081 China Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures Beijing Institute of Technology Beijing100081 China State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing100081 China

To avoid the expensive computational costs and time-consuming process of high-fidelity simulation, a deep learning framework based on attention mechanism and three-dimensional stress state is proposed to predict the compressive mechanical properties and failure modes of embedded wrinkle thick-section composites in this paper. The deep learning framework includes strength and stiffness, stress-strain curves and failure mode prediction networks respectively using convolutional neural networks (CNN) based on wrinkle angle distribution and material distribution. The attention-based loss function is considered in the failure mode network to accurately predict the local high damage areas. 1025 finite element (FE) models considering the geometric features of the embedded wrinkles are generated based on the Latin Hypercube sampling technique. The high-fidelity three-dimensional FE simulations based progressive damage method are used to compute the datasets for training and validating the deep learning framework. The results show that the deep learning framework can accurately predict the compressive mechanical properties and failure modes of embedded wrinkle composites. Meanwhile, the deep learning framework also captures the influence laws of wrinkle parameters on mechanical properties and failure modes. © 2023, The Authors. All rights reserved.

关键词： Forecasting

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A Comparative Study on the Erosion Behavior and Mechanism of Chrome-Coated 25cr3mo2wniv Steel and Qpq 25cr3mo2wniv Steel

SSRN

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SSRN 2024年

作者： Dou, Caihong Pan, Kunming Wang, Changji Wei, Shizhong Zhang, Cheng Xu, Liujie Cui, Hailin Liang, Yongfeng Huang, Jinfeng Henan Key Laboratory of High-temperature Structural and Functional Materials Henan University of Science and Technology Luoyang471003 China Science and Technology on Transient Impact Laboratory Beijing102202 China State Key Laboratory for Advanced Metals and Materials University of Science and Technology Beijing Beijing100083 China

This study aims to compare the erosion behavior and mechanism of chrome-coated 25Cr3Mo2WNiV steel (Cr MPS700V) and QPQ (quench-polish-quench) MPS700V using promoted ignition combustion tests. By studying erosion behavior, it was found that the erosion threshold pressure and temperature of the Cr MPS700V were determined to be 0.2 MPa and 254.3 K higher than those of QPQ MPS700V. The surface morphology after erosion shows that the equivalent erosion depth of QPQ MPS700V is 8.2 μm deeper than that of Cr MPS700V. The superior resistance to erosion of the Cr MPS700V was ascribed to the inhibition of the Kirkendall effect at the interface between the coating and matrix. Small-sized atoms C and N in the QPQ coating were more easily diffused into matrix than large-sized atom Cr before erosion. Moreover, the oxidation heat release of Mo2C precipitated at the QPQ coating/steel interface is higher than that of Cr23C6 precipitated at the Cr coating/steel interface, which reduced the erosion performance of QPQ MPS700V. © 2024, The Authors. All rights reserved.

关键词： Chromium steel

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Preparation of high performance Ga2O3 based ultraviolet photodetector by CVD

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Journal of Solid State Chemistry 2023年第PartA期317卷

作者： Wang, Xiao Cheng, Qiao Rong, Ximing Han, Shun Zeng, Yuxiang Cao, Peijiang Fang, Ming Liu, Wenjun Zhu, Deliang Lu, Youming Shenzhen Key Laboratory of Special Functional Materials Shenzhen Engineering Laboratory for Advanced Technology of Ceramics Guangdong Research Center for Interfacial Engineering of Functional Materials College of Materials Science and Engineering Shenzhen University Shenzhen518055 China

Here, β-Ga2O3 films have been grown on c-Al2O3 and p-GaN substrates by chemical vapor deposition method to fabricate solar-blind ultraviolet photodetectors with MSM-type planar structure and pn-junction vertical structure respectively. The β-Ga2O3 films grown with domain growth mode exhibit high crystallinity and flat surface, so the fabricated MSM-type photodetector shows spectral peak responsivity of 1.83 A/W at 254 nm and photo-to-dark current ratio of 104 under 25 V bias with 20% oxygen fraction and 120 sccm flow rate. On this basis, the constructed vertical structured β-Ga2O3/p-GaN heterojunction photodetector shows peak responsivity of 1.99 A/W under 25 V for the junction effect between β-Ga2O3 and p-GaN. Meanwhile, spectral responsivity peak of 1.36 × 10−4 A/W at 0V claims significant self-powered effect induced by build-in electric field between β-Ga2O3 and p-GaN. These results confirm that high performance β-Ga2O3 solar-blind ultraviolet photodetectors can be obtained by simple chemical vapor deposition method. © 2022 Elsevier Inc.

关键词： Heterojunctions

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functional Polyesters: Tailoring Structure and Biomedical Functions

Polymer Science & Technology

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Polymer science & technology 2025年第4期1卷 299-313页

作者： Zhitao Hu Ming Li Yongming Chen School of Materials Science and Engineering Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education Guangdong Engineering Technology Research Centre for Functional Biomaterials Sun Yat-sen University Guangzhou 510275 China；Department of Chemistry and Biochemistry University of South Carolina Columbia South Carolina 29208 United States College of Chemistry and Molecular Sciences Henan University Kaifeng Henan 475001 China College of Chemistry and Molecular Sciences Henan University Kaifeng Henan 475001 China；School of Materials Science and Engineering Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education Guangdong Engineering Technology Research Centre for Functional Biomaterials Sun Yat-sen University Guangzhou 510275 China

Aliphatic polyesters exhibit excellent biocompatibility, degradability, and mechanical properties, making them widely utilized in medical applications, such as drug delivery and implantable devices. Traditional aliphatic polyesters are hydrophobic, lacking polar or functional groups, which limits their application in the delivery of biomacromolecules like proteins, peptides, and nucleic acids. This review presents a summary of the research progress on the controlled ring-opening polymerization of functional lactones andO-carboxyanhydrides (OCAs), leading to various novel polyesters with in-chain or side-chain functional groups. These polyesters with defined molar masses and location of functionalities may facilitate biomaterials’ applications.

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Enhanced photoresponse of Ti0_(2)/MoS_(2)heterostructure phototransistors by the coupling of interface charge transfer and photogating

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Nano Research 2021年第4期14卷 982-991页

作者： Bingxu Liu Yinghui Sun Yonghuang Wu Kai Liu Huanyu Ye Fangtao Li Limeng Zhang Yong Jiang Rongming Wang Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceSchool of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing 100083China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China

Two-dimensional(2D)MoS_(2)with appealing physical properties is a promising candidate for next-generation electronic and optoelectronic devices,where the ultrathin MoS_(2)is usually laid on or gated by a dielectric oxide *** oxide/MoS_(2)interfaces widely existing in these devices have significant impacts on the carrier transport of the MoS_(2)channel by diverse interface *** design of the oxide/MoS_(2)interfaces would provide an effective way to break through the performance limit of the 2D devices but has yet been well ***,we report a high-performance MoS_(2)-based phototransistor with an enhanced photoresponse by interfacing few-layer MoS_(2)with an ultrathin Ti0_(2)*** Ti0_(2)is deposited on MoS_(2)through the oxidation of an e-beam-evaporated ultrathin Ti *** a visible-light illumination,the fabricated Ti0_(2)/MoS_(2)phototransistor exhibits a responsivity of up to 2,199 A/W at a gate voltage of 60 V and a detectivity of up to 1.67×10^(13)Jones at a zero-gate voltage under a power density of 23.2μW/mm^(2).These values are 4.0 and 4.2 times those of the pure MoS_(2)*** significantly enhanced photoresponse of Ti0_(2)/MoS_(2)device can be attributed to both interface charge transfer and photogating *** results not only provide valuable insights into the interactions at Ti0_(2)/MoS_(2)interface,but also may inspire new approach to develop other novel optoelectronic devices based on 2D layered materials.

关键词： MoS_(2) heterojunction photodetector charge injection photocurrent

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Optimizing geometric configuration of single Zn-N_(4) sites for boosting reciprocal transformation between aromatic alcohols and aldehydes

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Nano Research 2023年第7期16卷 9132-9141页

作者： Shengjie Wei Yucheng Jin Chunlin Lv Chao Lian Zheng Chen Xiao Liang Qinghua Zhang Xin Chen Dongdong Qi Zhi Li School of Materials Science and Engineering Nankai UniversityTianjin 300350China Department of Chemistry Tsinghua UniversityBeijing 100084China Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials Department of ChemistryUniversity of Science and Technology BeijingBeijing 100083China School of Pharmacy and Center on Translational Neuroscience Minzu University of ChinaBeijing 100081China Department of Chemistry School of ScienceBeijing Jiaotong UniversityBeijing 100091China School of Chemistry and Materials Science Anhui Normal UniversityWuhu 241002China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Beijing Advanced Innovation Center for Materials Genome Engineering Institute of Solid State ChemistryUniversity of Science and Technology BeijingBeijing 100083China College of Chemistry Beijing Normal UniversityBeijing 100875China

It is significant to optimize geometric configuration of metal catalytic sites and boost their catalytic ***,we synthesized isolated single Zn-N_(4)sites on N-doped carbon(Zn-CN)by pyrolyzing zeolite imidazole framework-8(ZIF-8)at different *** the reciprocal transformation between benzyl alcohol and benzaldehyde,the catalytic activities of Zn-CN catalysts exhibited a volcano-like trend as the pyrolysis temperatures *** optimal catalyst was Zn-CN-900,with outstanding catalytic activity exceeding commercial 20 wt.%Pd/C and 20 wt.%Pt/C,promising to substitute the noble metalbased catalysts.X-ray absorption near-edge structure(XANES)measurements and density functional theory(DFT)calculation revealed the gradual transformation from tetrahedral ZnN_(4)sites of ZIF-8 into planar ZnN_(4)sites above 700℃,with the maximum planar ZnN_(4)sites in *** stronger adsorption between reactants and planar ZnN_(4)sites facilitated the activation of reactants compared with tetrahedral ZnN_(4)*** work will provide valuable insight into rational design of efficient catalysts by optimizing geometric configuration of catalytic sites.

关键词： geometric configuration single Zn-N_(4)sites benzyl alcohol oxidation hydrogen transfer reaction

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单晶二维材料生长中的层数调控机制

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science Bulletin 2023年第23期68卷 2936-2944,M0005页

作者：张磊宁孔潇董际臣丁峰 Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications MOE Key Laboratory of Cluster ScienceSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China State Key Laboratory of Information Functional Materials 2020 X-LabShanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Sciences University of Chinese Academy of SciencesBeijing 100049China Faculty of Materials Science and Engineering/Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

最近,通过将外延生长的多层二维晶畴进行无缝拼接,研究人员成功实现了晶圆级单晶二维多层材料的合成.不同于以往观察到的类似婚礼蛋糕或倒置婚礼蛋糕结构,这些多层二维晶畴中所有层都具有完全相同的尺寸和形状,即多层同步生长.基于此,... 详细信息

最近,通过将外延生长的多层二维晶畴进行无缝拼接,研究人员成功实现了晶圆级单晶二维多层材料的合成.不同于以往观察到的类似婚礼蛋糕或倒置婚礼蛋糕结构,这些多层二维晶畴中所有层都具有完全相同的尺寸和形状,即多层同步生长.基于此,本文通过理论计算探索了多层二维材料的不同生长模式,提出了多层同步生长的物理模型,揭示了基底上液体异质表面层的形成是保证同步生长的关键性因素.作者指出在生长过程中,多层二维材料嵌入在衬底的异质表面层中,同时底层与固态基底直接接触.异质层能有效钝化二维材料的边缘,从而防止这些活性边缘的融合,而异质层与基底之间的高界面则迫使不同层的二维材料边缘保持同步生长.通过对多层同步生长机理的深入了解,本文揭示了发生多层同步生长的条件,为合成层数可控的晶圆级单晶二维材料提供了新的思路.

关键词： 2D materials Epitaxial growth Thickness control Synchronic growth

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High entropy(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12:A novel high temperature stable thermal barrier material

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Journal of Materials science & technology 2020年第13期47卷 57-62页

作者： Heng Chen Zifan Zhao Huimin Xiang Fu-Zhi Dai Wei Xu Kuang Sun Jiachen Liu Yanchun Zhou Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of Education School of Materials Science and EngineeringTianjin UniversityTianjin300072China Shanghai Chenhua Science and Technology Corporation Limted Shanghai201804China

Ytterbium aluminum garnet(Yb3Al5O12)is considered as a promising thermal barrier ***,the main limitations of Yb3Al5O12 for thermal barrier applications are relative low thermal expansion coefficient and high thermal *** order to overcome these obstacles,herein,a new high entropy(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 ceramic was designed,and then powders and bulk were prepared through solid-state reaction method and spark plasma sintering(SPS),*** thermal expansion coefficient of HE(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 is(8.54±0.29)×10^-6 K^-1 at 673 K–1273 K,which is about 9%higher than that of *** thermal conductivity of HE(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 ceramic is 3.81 W·m^-1 K^-1 at 300 K,which is about 18%lower than that of ***,there is no reaction between HE(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 and thermally grown(TG)Al2O3 even at 1600℃.After annealing at 1590℃for 18 h,the average grain size of HE(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 increases only from 1.56μm to 2.27μ*** thermal expansion coefficient to TG Al2O3,low thermal conductivity,good phase stability,excellent chemical compatibility with TG Al2O3 and slow grain growth rate make HE(Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 promising for thermal barrier applications.

关键词： High entropy ceramics (Y0.2Yb0.2Lu0.2Eu0.2Er0.2)3Al5O12 Thermal barrier coatings Thermal conductivity Garnet

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Recent progress on surface chemistryⅡ:Property and characterization

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Chinese Chemical Letters 2025年第1期36卷 8-57页

作者： Xin Li Zhen Xu Donglei Bu Jinming Cai Huamei Chen Qi Chen Ting Chen Fang Cheng Lifeng Chi Wenjie Dong Zhenchao Dong Shixuan Du Qitang Fan Xing Fan Qiang Fu Song Gao Jing Guo Weijun Guo Yang He Shimin Hou Ying Jiang Huihui Kong Baojun Li Dengyuan Li Jie Li Qing Li Ruoning Li Shuying Li Yuxuan Lin Mengxi Liu Peinian Liu Yanyan Liu Jingtao Lü Chuanxu Ma Haoyang Pan JinLiang Pan Minghu Pan Xiaohui Qiu Ziyong Shen Qiang Sun Shijing Tan Bing Wang Dong Wang Li Wang Lili Wang Tao Wang Xiang Wang Xingyue Wang Xueyan Wang Yansong Wang Yu Wang Kai Wu Wei Xu Na Xue Linghao Yan Fan Yang Zhiyong Yang Chi Zhang Xue Zhang Yang Zhang Yao Zhang Xiong Zhou Junfa Zhu Yajie Zhang Feixue Gao Yongfeng Wang Center for Carbon-based Electronics and Key Laboratory for the Physics and Chemistry of Nanodevices School of ElectronicsPeking UniversityBeijing 100871China Spin-X Institute School of MicroelectronicsSouth China University of TechnologyGuangzhou 511442China School of Materials and Energy Guangzhou Key Laboratory of Low-Dimensional Materials and Energy Storage DevicesGuangdong University of TechnologyGuangzhou 510006China Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming 650093China i-Lab CAS Key Laboratory of Nanophotonic Materials and DevicesSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China CAS Key Laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular SciencesBeijing National Laboratory for Molecular Sciences(BNLMS)Institute of ChemistryChinese Academy of SciencesBeijing 100190China State Key Laboratory for Organic Electronics and Information Displays&Jiangsu Key Laboratory for Biosensors Institute of Advanced MaterialsJiangsu National Synergetic Innovation Center for Advanced MaterialsNanjing University of Posts and TelecommunicationsNanjing 210023China Institute of Functional Nano and Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China Hefei National Research Center for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Institute of Physics&University of Chinese Academy of Sciences Beijing 100190China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China College of Chemistry Beijing Normal UniversityBeijing 100875China Beijing National Laboratory for Molecular Sciences(BNLMS) College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China School

Surface with well-defined components and structures possesses unique electronic,magnetic,optical and chemical *** a result,surface chemistry research plays a crucial role in various fields such as catalysis,energy,materials,quantum,and *** science mainly investigates the correspondence between surface property and *** probe microscopy(SPM)techniques are important tools to characterize surface properties because of the capability of atomic-scale imaging,spectroscopy and manipulation at the single-atom *** this review,we summarize recent advances in surface electronic,magnetic and optical properties characterized mainly by SPM-based *** focus on elucidating theπ-magnetism in graphene-based nanostructures,construction of spin qubits on surfaces,topology properties of surface organic structures,STM-based light emission,tip-enhanced Raman spectroscopy and integration of machine learning in SPM studies.

关键词： Surface chemistry Scanning probe microscopy π-Magnetism Spin qubits Tip-enhanced Raman spectroscopy

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