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Electronegativity-assisted optimized electronic structure of functionalized-Pt catalysts for boosting oxygen reduction kinetics

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Rare Metals 2024年第5期43卷 1965-1976页

作者： Jin Long Kai-Wen Zhuang Wei Liao Yan An Bin Wang Chen-Zhong Wu jian-xin cao Qing Wang Jun-Song Chen Qing-Mei Wang Guizhou University Key Laboratory of Green Chemical and Clean Energy Technology School of Chemistry and Chemical EngineeringGuizhou UniversityGuiyang 550025China Guizhou University Engineering Research Center of Effcient Utilization for Industrial Waste Guizhou UniversityGuiyang 550025China Institute of Dual-Carbon and New Energy Technology Innovation and Development of Guizhou Province Guiyang 550025China Department of Dermatology West China HospitalSichuan UniversityChengdu610041China Institute for Catalysis Hokkaido UniversitySapporo 001-0021Japan School of Materials and Energy University of Electronic Science and Technology of ChinaChengdu 611731China Interdisciplinary Materials Research Center Institute for Advanced StudyChengdu UniversityChengdu 610106China

Opportunity to harmonize aspects of oxygen reduction reaction(ORR)performance and structure,and morphology,as well as composition,is urgent for the commercialization of proton exchange membrane fuel ***,we demonstrate the design and synthesis of a functionalized-supported-Pt catalyst(Pt@HNC)featuring a hollow nitrogen-modified dodecahedral carbon substrate obtained by a stress-induced-shrink tailoring *** as-obtained Pt@HNC catalyst possesses enhanced ORR per-formance,in particular with half-wave potential,mass activity(MA)and specific activity,which greatly exceed the commercial Pt/*** density functional theory(DFT)calculations further confirmed that the charge redistribution induced by the electronegativity differences improved the electron interaction between Pt and HNC *** optimized electronic structure of Pt weakens the reaction energy barrier on the Pt@HNC surface and adsorption of^(*)OH species,thus cooperatively improving the intrinsic activity toward ***,our work indeed provides a guide for the future design of functional nanomaterials in the field of catalysts and clean energy.

关键词： Proton exchange membrane fuel cell(PEMFC) Oxygen reduction catalysis Supported Pt-based catalyst Stability

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Effect of Na^+ on xonotlite crystals in hydrothermal synthesis

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International Journal of Minerals,Metallurgy and Materials 2013年第1期20卷 88-93页

作者： Fei Liu Xiao-dan Wang jian-xin cao School of Chemistry and Chemical Engineering Guizhou University

The effect of Na＋ ion concentration on the crystalline phase composition and morphology of xonotlite crystals pre- pared in a cao-SiO2-H20 system via hydrothermal synthesis was analyzed. X-ray diffraction （XRD） and scanning electron mi- croscopy （SEM） results indicate that Na＋ ion concentration has a significant impact on the composition and morphology of crystalline phases in the products under the initial conditions of a molar ratio of cao/SiO2 of 1.0 and a reactant concentration of 0.05 mol.L-1 at 225℃ for 15 h. The main crystalline phase in the products has a phase transition from xonotlite to pectolite, and the morphology changes from fibrous to broomlike shape with the Na＋ ion concentration increasing. Therefore, the content of Na^O in the raw material should be less than 5wt% for preparing pure xonotlite crystals via hydrothermal synthesis in a cao-SiO2-H20 system.

关键词： crystals xonotlite pectolite hydrothermal synthesis morphology

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基于d电子理论的Ti-Nb-Cu三元形状记忆合金性能优化

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Transactions of Nonferrous Metals Society of China 2024年第3期34卷 861-873页

作者：衣晓洋曹新建黄博文孙馗善孙斌孟祥龙高智勇王海振烟台大学核装备与核工程学院烟台264005 山东省烟台先进材料与绿色制造实验室烟台264005 哈尔滨工业大学材料科学与工程学院哈尔滨150001 哈尔滨工程大学材料科学与化学工程学院分析测试中心哈尔滨150001

基于d电子理论设计Ti-Nb-Cu形状记忆合金的相组成,以优化其性能。XRD分析和TEM观察表明,Cu添加导致键级(Bo)和金属d轨道能级(Md)值减小,从而使相组成发生演变。随着Cu含量的增加,相组成的变化可以总结如下:β+α"→β+ω→β+α"+ω→... 详细信息

基于d电子理论设计Ti-Nb-Cu形状记忆合金的相组成,以优化其性能。XRD分析和TEM观察表明,Cu添加导致键级(Bo)和金属d轨道能级(Md)值减小,从而使相组成发生演变。随着Cu含量的增加,相组成的变化可以总结如下:β+α"→β+ω→β+α"+ω→β。随着Cu含量的增加,Ti-Nb-Cu形状记忆合金的屈服强度、极限抗拉强度和伸长率均呈先增大后减小的趋势。通过优化Cu合金元素含量,Ti-Nb-Cu形状记忆合金具有优异的力学性能,其屈服强度为528 MPa,极限抗拉强度为742 MPa,这主要归因于固溶强化、晶粒细化以及析出强化的综合作用。

关键词： d电子理论 Ti-Nb-Cu形状记忆合金马氏体组态拉伸性能显微硬度

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Regulation of Ti(C,N)deposition on hot surface of refractory in blast furnace hearth

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Journal of Iron and Steel Research International 2024年第6期31卷 1423-1435页

作者： jian cao Cui Wang Jjan-liang Zhang Ke-xin Jiao Guo-hua Zhang State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

Ti(C,N)concentration was found to be lower on the hearth sidewall of a blast furnace and increased gradually toward the bottom of the blast *** Ti(C,N)protective layer in a blast furnace is ***,the formation of a Ti(C,N)protective layer was promoted by studying the heterogeneous nucleation principle of titanium compounds on different substances and regulation measures for the deposition process of titanium compounds on refractories or *** lattice disregistry between the titanium compounds and the main components in the refractory or the main impurities in the protective layer was calculated using a two-dimensional disregistry equation to study the heterogeneous nucleation principle of titanium *** results revealed that in refractory materials,the heterogeneous nucleation of carbonitride is weak when C,SiO_(2),and Al_(2)O_(3) are used as heterogeneous nucleation substrates,and the heterogeneous nucleation of carbonitride is strong when TiO_(2) and SiC are used as heterogeneous nucleation *** nucleation phases,TiC,TiN,Ti(C_(0.3),N_(0.7)),and Ti(C_(0.5),N_(0.5))have similar heterogeneous nucleation ability in single component refractory,and the type of carbonitride has little effect on the lattice *** impurities in the protective layer as the substrate phases are not conducive to the heterogeneous nucleation of *** CaS was used as the substrate phase,the heterogeneous nucleation ability of carbonitride was the *** carbon and alumina were not conducive to the heterogeneous nucleation of carbonitride,but carbon was more unfavourable than alumina.

关键词： Ti(C,N) Lattice disregistry Lattice constant Heterogeneous nucleation Regulation measure

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Quantitative characterizations of anisotropic dynamic properties in organic-rich shale with different kerogen content

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Petroleum Science 2024年第2期21卷 855-865页

作者： jian-Yong Xie Yan-Ping Fang xing-Hua Wu jian'er Zhao Jun-Cheng Dai Jun-xing cao Ji-xin Deng State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Chengdu University of TechnologyChengdu610059SichuanChina Key Lab of Earth Exploration&Information Techniques of Ministry of Education Geophysical InstituteChengdu University of TechnologyChengdu610059SichuanChina PetroChina Southwest Oil&Gasfield Company Chengdu610017SichuanChina

Understanding the quantitative responses of anisotropic dynamic properties in organic-rich shale with different kerogen content(KC)is of great significance in hydrocarbon exploration and *** controlled experiments with a single variable is challenging for natural shales due to their high variations in components,diagenesis conditions,or pore *** employed the hot-pressing technique to construct 11 well-controlled artificial shale with varying *** artificial shale samples were successive machined into prismatic shape for ultrasonic measurements along different *** revealed bedding perpendicular P-wave velocities are more sensitive to the increasing KC than bedding paralleling velocities due to the preferential alignments of *** elastic stiffnesses except C_(13)are generally decreasing with the increasing KC,the variation of C_(1) and C_(33)on kerogen content are more sensitive than those of C_(44)and C_(66).Apparent dynamic mechanical parameters(v and E)were found to have linear correlation with the true ones from complete anisotropic equations independent of KC,which hold value towards the interpretation of well logs consistently across formations,Anisotropic mechanical parameters(ΔE and brittlenessΔB)tend to decrease with the reducing KC,withΔB showing great sensitivity to KC *** the range of low KC(10%)shale,compilation of data from natural organic rich-shales globally verified the similar systematic relationships that can be empirically used to predict the fraction of KC in shales.

关键词： Elastic properties Organic shale Anisotropy Kerogen content Physical modeling

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Selective CO_(2)Electroreduction to Multi-Carbon Products on Organic-Functionalized CuO Nanoparticles by Local Micro-Environment Modulation

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Nano-Micro Letters 2024年第12期16卷 120-132页

作者： Shan Ren Xi cao Qikui Fan Zhimao Yang Fei Wang xin Wang Licheng Bai jian Yang Materials Interfaces Center Shenzhen Institutes of Advanced TechnologyChinese Academy of SciencesShenzhen 518055GuangdongPeople’s Republic of China Key Laboratory of Functional Molecular Solids Ministry of EducationCollege of Chemistry and Materials ScienceAnhui Normal UniversityWuhu 241002AnhuiPeople’s Republic of China School of Physics Xi’an Jiaotong UniversityXi’an 710049ShaanxiPeople’s Republic of China College of Materials Science and Engineering Shenzhen UniversityShenzhen 518071GuangdongPeople’s Republic of China

Surface functionalization of Cu-based catalysts has demonstrated promising potential for enhancing the electrochemical CO_(2)reduction reaction(CO_(2)RR)toward multi-carbon(C2+)products,primarily by suppressing the parasitic hydrogen evolution reaction and facilitating a localized CO_(2)/CO concentration at the *** upon this approach,we developed surface-functionalized catalysts with exceptional activity and selectivity for electrocatalytic CO_(2)RR to C_(2+)in a neutral *** CuO nanoparticles coated with hexaethynylbenzene organic molecules(HEB-CuO NPs),a remarkable C_(2+)Faradaic efficiency of nearly 90%was achieved at an unprecedented current density of 300 mA cm^(-2),and a high FE(>80%)was maintained at a wide range of current densities(100-600 mA cm^(-2))in neutral environments using a flow ***,in a membrane electrode assembly(MEA)electrolyzer,86.14%FEC2+was achieved at a partial current density of 387.6 mA cm^(-2)while maintaining continuous operation for over 50 h at a current density of 200 mA cm^(-2).In-situ spectroscopy studies and molecular dynamics simulations reveal that reducing the coverage of coordinated K⋅H2O water increased the probability of intermediate reactants(CO)interacting with the surface,thereby promoting efficient C-C coupling and enhancing the yield of C_(2+)*** advancement offers significant potential for optimizing local micro-environments for sustainable and highly efficient C_(2+)production.

关键词： CO_(2)electroreduction to C_(2+) Neutral electrolyte Organic-functionalized CuO nanoparticles Local micro-environment

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Effect of Sn Content on the Microstructural Features, Martensitic Transformation and Mechanical Properties in Ti-V-Al-Based Shape Memory Alloys

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金属学报:英文版 2023年第8期36卷 1247-1260页

作者： Xiao-Yang Yi Wei Liu Yun-Fei Wang Bo-Wen Huang xin-jian cao Kui-Shan Sun Xiao Liu Xiang-Long Meng Zhi-Yong Gao Hai-Zhen Wang Department of Nuclear Equipment College of Nuclear Equipment and Nuclear EngineeringYantai UniversityYantai264005China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China Shandong Laboratory of Yantai Advanced Materials and Green Manufacturing Yantai264005China

In the present study, it is expected to tailor the microstructural features, martensitic transformation temperatures and mechanical properties of Ti-V-Al shape memory alloys through adding Sn alloying elements, which further expands their applications. Sn addition results in the monotonous rising of average valence electron number (e/a). In proportion, the single α″ martensite phase directly evolves into merely β parent phase in present Ti-V-Al-based shape memory alloys, as Sn content increases from 0.5 to 5.0 at.%. Meanwhile, Sn addition causes the reduction in the grain size. Combined with transmission electron microscopy (TEM) observation and d electron theory analysis, it can be speculated that Sn addition can suppress the precipitation of ω phase. With increasing Sn content, fracture strength invariably decreases from 962 to 792 MPa, whereas the yield strength firstly decreases and then increases. The lowest yield stress for the stress-induced martensitic transformation of 220 MPa can be obtained in Ti-V-Al shape memory alloy by adding 3.0 at.% Sn. By optimizing 1.0 at.% Sn, the excellent ductility with a largest elongation of 42.1% can be gained in Ti-V-Al shape memory alloy, which is larger than that of the reported Ti-V-Al-based shape memory alloys. Besides, as a result of solution strengthening and grain refinement, Ti-V-Al-based shape memory alloy with 5.0 at.% Sn possesses the highest yield strength, further contributing to the excellent strain recovery characteristics with 4% fully recoverable strain.

关键词： Ti-V-Al alloy Lightweight shape memory alloy Microstructural features Mechanical properties strain recoverycharacteristics

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Dysfunction of synaptic endocytic trafficking in Parkinson's disease

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Neural Regeneration Research 2024年第12期19卷 2649-2660页

作者： xin Yi Ng Mian cao Programme in Neuroscience and Behavioural Disorders Duke-NUS Medical SchoolSingaporeSingapore Department of Physiology National University of SingaporeSingaporeSingapore

Parkinson's disease is characterized by the selective degeneration of dopamine neurons in the nigrostriatal pathway and dopamine deficiency in the *** precise reasons behind the specific degeneration of these dopamine neurons remain largely *** investigations have identified over 20 causative PARK genes and 90 genomic risk loci associated with both familial and sporadic Parkinson's ***,several of these genes are linked to the synaptic vesicle recycling process,particularly the clathrinmediated endocytosis *** suggests that impaired synaptic vesicle recycling might represent an early feature of Parkinson's disease,followed by axonal degeneration and the eventual loss of dopamine cell bodies in the midbrain via a"dying back"***,several new animal and cellular models with Parkinson's disease-linked mutations affecting the endocytic pathway have been created and extensively *** models faithfully recapitulate certain Parkinson's disease-like features at the animal,circuit,and cellular levels,and exhibit defects in synaptic membrane trafficking,further supporting the findings from human genetics and clinical *** this review,we will first summarize the cellular and molecular findings from the models of two Parkinson's disease-linked clathrin uncoating proteins:auxilin(DNAJC6/PARK19)and synaptojanin 1(SYNJ1/PARK20).The mouse models carrying these two PARK gene mutations phenocopy each other with specific dopamine terminal pathology and display a potent synergistic ***,we will delve into the involvement of several clathrin-mediated endocytosis-related proteins(GAK,endophilin A1,SAC2/INPP5 F,synaptotagmin-11),identified as Parkinson's disease risk factors through genome-wide association studies,in Parkinson's disease *** will also explore the direct or indirect roles of some common Parkinson's disease-linked proteins(alpha-synuclein(PARK1/4),Parkin(PARK2),and LRRK2(PARK

关键词： autophagy auxilin/PARK19 clathrin-mediated endocytosis dopamine neurons neurodegeneration nigrostriatal pathway Parkinson's disease synaptic vesicle recycling synaptojanin1/PARK20

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The Effect of Total Cholesterol on Myocardial Infarction in Chinese Male Hypertension Population

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Biomedical and Environmental Sciences 2010年第1期23卷 37-41页

作者： jian-xin LI JIE cao XIANG-FENG LU SHU-FENG CHEN DA-HAI YU XIU-FANG DUAN XI-GUI WU DONG-FENG GU Department of Evidence Based Medicine Cardiovascular lnstitute and Fuwai Hospital Chinese Academy of Medical Sciences and Peking Union Medical College Beo'ing 100037 China

Objective Total cholesterol （TC） is an important risk factor for myocardial infarction （M1）, but the effect of TC on MI in Chinese male hypertension population has not been well documented. We conducted a prospective cohort study to determine the incidence and relative risk for M1 across a wide range of TC levels in Chinese male hypertension population. Methods A cohort of 5 298 male employees aged 18-74 years recruited from Capital Steel and Iron Company in Beijing of China in 1974-1980 was followed up for an average of 20.84 years. A total of 122 incident M1 cases were identified during the period of follow-up. Results The incidence of MI among participants with elevated TC and those with desirable TC in male non-hypertension population was 137.20 and 63.81 per 100 000 person-years, respectively; and the corresponding incidence in male hypertension population was 279.80 and 130.96 per 100 000 person-years, respectively. After adjustment for important covariables, 10.38%, 16.71%, and 23.80% of M1 cases were attributable to hypertension, elevated TC, and hypertension plus elevated TC, respectively. In male hypertension population, the multivariate adjusted hazard ratios of MI were 1.21, 2.39, 3.38, and 3.95 for participants with TC level of 5.17-5.68, 5.69-6.20, 6.21-6.71, and ≥6.72 mmol/L, compared with those with TC〈5.17 mmol/L. The corresponding population attributable risks were 2.92%, 9.20%, 8.87%, and 9.84%, respectively. Conclusion Elevated TC is an important independent risk factor of M1 both in male non-hypertension and hypertension populations. There is a linear association between TC level and M1 incidence in Chinese male hypertension population.

关键词： Hypertension Cholesterol Myocardial infarction Cohort studies

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Random Subspace Sampling for Classification with Missing Data

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Journal of Computer Science & Technology 2024年第2期39卷 472-486页

作者：曹云浩吴建鑫 State Key Laboratory for Novel Software Technology Nanjing UniversityNanjing 210093China

Many real-world datasets suffer from the unavoidable issue of missing values,and therefore classification with missing data has to be carefully handled since inadequate treatment of missing values will cause large *** this paper,we propose a random subspace sampling method,RSS,by sampling missing items from the corresponding feature histogram distributions in random subspaces,which is effective and efficient at different levels of missing *** most established approaches,RSS does not train on fixed imputed ***,we design a dynamic training strategy where the filled values change dynamically by resampling during ***,thanks to the sampling strategy,we design an ensemble testing strategy where we combine the results of multiple runs of a single model,which is more efficient and resource-saving than previous ensemble ***,we combine these two strategies with the random subspace method,which makes our estimations more robust and *** effectiveness of the proposed RSS method is well validated by experimental studies.

关键词： missing data random subspace neural network ensemble learning

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