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Interface structure of α-Mg/14H-LPSO:First-principles prediction and experimental study

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journal of Rare Earths 2024年第9期42卷 1792-1799,I0006页

作者： Yuan Shi Xiaohua Zhang Hongyan Yue Chao li School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin150040China

The interfacial structure of the α-Mg/14H-LPSO phase in rare earth-including magnesium alloy was investigated via high-angle annular dark-field scanning transmission electron microscopy(HAADFSTEM) imaging and first-principles calculations of density-functional *** possible interfacial models were constructed according to the different terminations of the LPSO phase,and the corresponding interfacial energies were calculated,from which the four most stable structures(Terl-MgY-hollow,Ter2-Zn-hollow,Ter3-MgYII-hollow and Ter4-Mg-bridge) were *** interfacial phase diagrams related to the Y chemical potentials were obtained from the calculations,and the most stable interfacial structure was ***-MgY-hollow and Ter2-Zn-hollow have the lowest interfacial energies in the range of-0.7 eV j/m^(2) for the interface model of α-Mg and 14H-LPSO phase structure with Ter2-Zn-hollow termination.

关键词： Rare earths Magnesium alloy HAADF-STEM LPSO First-principles Interface

Coke behavior with H_(2)O in a hydrogen-enriched blast furnace:A review

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International journal of Minerals,Metallurgy and Materials 2024年第5期31卷 959-976页

作者： Feng Zhou Daosheng Peng Kejiang li Alberto N.Conejo Haotian liao Zixin Xiong Dongtao li jianliang Zhang School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China School of Chemical Engineering The University of QueenslandSt LuciaQLD 4072Australia Baosteel Central Research Institute(R&D Center of Wuhan Iron&Steel Co. Ltd.)Wuhan 430080China Shougang Research Institute of Technology Shougang Group Corporation Ltd.Beijing 100043China Beijing Key Laboratory of Green Recyclable Process for Iron and Steel Production Technology Beijing 100043China

Hydrogen-enriched blast furnace ironmaking has become an essential route to reduce CO_(2)emissions in the ironmaking ***,hydrogen-enriched reduction produces large amounts of H_(2)O,which places new demands on coke quality in a blast *** a hydrogen-rich blast furnace,the presence of H_(2)O promotes the solution loss *** result improves the reactivity of coke,which is 20%-30%higher in a pure H_(2)O atmosphere than in a pure CO_(2)*** activation energy range is 110-300 kj/mol between coke and CO_(2)and 80-170 kj/mol between coke and H_(2)***_(2)and H_(2)O are shown to have different effects on coke degradation *** review provides a comprehensive overview of the effect of H_(2)O on the structure and properties of *** exploring the interactions between H_(2)O and coke,several unresolved issues in the field requiring further research were *** review aims to provide valuable insights into coke behavior in hydrogen-rich environments and promote the further development of hydrogen-rich blast furnace ironmaking processes.

关键词： hydrogen ironmaking coke behavior blast furnace gasification microstructure kinetics

Exploring the Cation Regulation Mechanism for Interfacial Water Involved in the Hydrogen Evolution Reaction by In Situ Raman Spectroscopy

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Nano-Micro Letters 2024年第3期16卷 303-312页

作者： Xueqiu You Dongao Zhang Xia‑Guang Zhang Xiangyu li jing‑Hua Tian Yao‑Hui Wang jian‑Feng li School of Ocean Information Engineering Fujian Provincial Key Laboratory of Oceanic Information Perception and Intelligent ProcessingJimei UniversityXiamen 361021People’s Republic of China State Key Laboratory of Physical Chemistry of Solid Surfaces MOE Key Laboratory of Spectrochemical Analysis and InstrumentationiChEMCollege of Chemistry and Chemical EngineeringCollege of MaterialsCollege of EnergyXiamen UniversityXiamen 361005People’s Republic of China Key Laboratory of Green Chemical Media and Reactions Ministry of EducationCollaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsCollege of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007People’s Republic of China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005People’s Republic of China

Interfacial water molecules are the most important participants in the hydrogen evolution reaction(HER).Hence,understanding the behavior and role that interfacial water plays will ultimately reveal the HER ***,investigating interfacial water is extremely challenging owing to the interference caused by bulk water molecules and complexity of the interfacial ***,the behaviors of interfacial water in different cationic electrolytes on Pd surfaces were investigated by the electrochemistry,in situ core-shell nanostructure enhanced Raman spectroscopy and theoretical simulation *** spectral evidence reveals a red shift in the frequency and a decrease in the intensity of interfacial water as the potential is shifted in the positively *** comparing the different cation electrolyte systems at a given potential,the frequency of the interfacial water peak increases in the specified order:li+justing the radius,valence,and concentration of cation to form the two-H down *** unique interfacial water structure will improve the charge transfer efficiency between the water and electrode further enhancing the HER ***,local cation tuning strategies can be used to improve the HER performance by optimizing the interfacial water structure.

关键词： In situ Raman Interfacial water Hydrogen evolution reaction Cations

Tunable antiferroelectric-like polarization behavior and enhanced energy storage characteristics in symmetric BaTiO_(3)/BiFeO_(3)/BaTiO_(3) heterostructure

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journal of Materiomics 2024年第6期10卷 1290-1298页

作者： Ying Wang Hanfei Zhu Hongyu Luo jianting li Yu Huan Yuyao Zhao li li Hongbo Cheng Chao liu Qingguo Chi jun Ouyang School of Chemistry and Chemical Engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan250353China School of Mechanical Engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan250353China Key Laboratory of Engineering Dielectrics and Its Application(Ministry of Education) Harbin University of Science and TechnologyHarbin150080China School of Material Science and Engineering University of JinanJinan250022China State Key Laboratory of Metal Matrix Composites School of Material Sciences and EngineeringShanghai Jiao Tong UniversityShanghai200240China Key Laboratory of Key Film Materials&Application for Equipments(Hunan Province) Hunan Provincial Key Laboratory of Thin Film Materials and DevicesSchool of Material Sciences and EngineeringXiangtan UniversityXiangtan411105China

The excellent energy storage performances of dielectric materials,a high energy density and efficiency,the stability in a wide range of temperature,frequency and cycling time,are surely desirable for the energy storage devices.A trade-off relationship between polarization and breakdown strength,however,limits the enhancement of energy storage properties of dielectric *** effectively boost the energy density and efficiency of dielectric capacitors,by inserting a BiFeO3 layer into the BaTiO3 film in present case,the symmetric BaTiO3/BiFeO3/BaTiO3 tri-layer film heterostructure with antiferroelectric-like characteristics was constructed based on the dual-interlayer coupling effect,what's more,its antiferroelectric-like characteristics will evolve with electric *** the tunable polarization behavior endows it with an enhanced maximum polarization but a reduced remnant one,a delayed saturation of polarization and a high breakdown strength,which are synergistically accountable for a large energy density(Wrec∼109 j/cm^(3))and a high efficiency(η∼82.6%),together with the good thermal(TR∼200℃,ΔWreclities,particularly an outstanding cycling reliability(10^(9) cycles,both ΔWrec and Δη<1%).Hence these findings can provide some innovative ideas for enriching the performance tuning of ferroelectrics,especially in enhancing their energy storage characteristics.

关键词： Antiferroelectric-like Tri-layer film heterostructure Tunable polarization behavior Interlayer coupling Energy storage

CPL-active hybrid copper(Ⅰ)halides enabled by cation inclusion with chiral crown-ether

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Science China Chemistry 2024年第10期67卷 3283-3290页

作者： Peng Fan li-Xuan Cai Xiao-Fang Duan Fan Yin Chen-Chen li Zhong-Hua Deng Xiao-Zhen li Qing-Fu Sun College of Chemistry and Materials Science Fujian Normal UniversityFuzhou 350117China Strait Institute of Flexible Electronics(Future Technologies) Fujian Key Laboratory of Flexible ElectronicsFujian Normal University and Strait Laboratory of Flexible ElectronicsFuzhou 350117China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Fujian College University of Chinese Academy of SciencesFuzhou 350002China

Chiral hybrid metal halides with high photoluminescence quantum yield(PLQY)and superior dissymmetry factor(g_(lum))are promising candidates for circularly polarized luminescence(CPL)emitting ***,it is a great challenge to achieve both high g_(lum)and large ***,we report a new supramolecular strategy to fabricate chiral hybrid Cu(Ⅰ)-halides with nearunity quantum yields and intense CPL *** dissymmetry factor can be dramatically modulated by tuning the hostguest *** to the chirality and variable conformations of the host-guest complexes,a series of chiral[G@L^(R/S)]_(2)Cu_(4)I_(6)have been *** incorporation of different cations within the chiral L^(R/S)hosts leads to variations of packing modes along the c-axis and different extent of distortions in the[Cu_(4)I_(6)]_(2)-*** them,[H_(3)O@L^(R/S)]+cations are stacked based on Van der Waals interactions and hierarchically self-assemble into a right/left-handed helix in[H_(3)O@L^(R/S)]_(2)Cu_(4)I_(6),which results in a high g_(lum)of-7×10^(-3)and a large PLQY of 96.92%.Notably,[G@L^(R/S)]_(2)Cu_(4)I_(6)shows promising applications in single-component white light emitting diodes(WLEDs),exhibiting a maximum dissymmetry factor of-1.2×10^(-3).The effective host-guest complexation and oriented hierarchical self-assembly provide an effective strategy for the development of high-performance CPL materials.

关键词： host-guest interaction circularly polarized luminescence copper iodide cluster hierarchical self-assembly chirality

Micro-aluminum powder with bi-or tri-component alloy coating as a promising catalyst:Boosting pyrolysis and combustion of ammonium perchlorate

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Defence Technology（防务技术） 2024年第3期33卷 100-113页

作者： Chao Wang Ying liu Mingze Wu jia li Ying Feng Xianjin Ning Hong li Ningfei Wang Baolu Shi School of Aerospace Engineering Beijing Institute of TechnologyBeijing 100081China School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

A novel design of micro-aluminum(μAl)powder coated with bi-/tri-component alloy layer,such as:Ni-P and Ni-P-Cu(namely,Al@Ni-P,Al@Ni-P-Cu,respectively),as combustion catalysts,were introduced to release its huge energy inside Al-core and promote rapid pyrolysis of ammonium perchlorate(AP)at a lower temperature in aluminized *** microstructure of Al@Ni-P-Cu demonstrates that a three-layer Ni-P-Cu shell,with the thickness of~100 nm,is uniformly supported byμAl carrier(fuel unit),which has an amorphous surface with a thickness of~2.3 nm(catalytic unit).The peak temperature of AP with the addition of Al@Ni-P-Cu(3.5%)could significantly drop to 316.2℃ at high-temperature thermal decomposition,reduced by 124.3℃,in comparison to that of pure AP with 440.5℃.It illustrated that the introduction of Al@Ni-P-Cu could weaken or even eliminate the obstacle of AP pyrolysis due to its reduction of activation energy with 118.28 kj/*** laser ignition results showed that the ignition delay time of Al@Ni-P-Cu/AP mixture with 78 ms in air is shorter than that of Al@Ni-P/AP(118 ms),decreased by 33.90%.Those astonishing breakthroughs were attributed to the synergistic effects of adequate active sites on amorphous surface and oxidation exothermic reactions(7597.7 j/g)of Al@Ni-P-Cu,resulting in accelerated mass and/or heat transfer rate to catalyze AP pyrolysis and ***,it is believed to provide an alternative Al-based combustion catalyst for propellant designer,to promote the development the propellants toward a higher energy.

关键词： Micro-aluminum powder(μAl) Nano-sized alloy coating Combustion catalyst Ammonium perchlorate Pyrolysis behavior Ignition and combustion

缓释万古霉素三维支架修复兔感染性骨软骨缺损

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中国组织工程研究 2024年第22期28卷 3509-3516页

作者：李兴屿周杰李沙沙张天喜郭国宁喻安永邓江叶鹏遵义医科大学附属医院急诊科(急救创伤病区) 贵州省遵义市563003 遵义市第一人民医院骨科贵州省遵义市563003

背景:大量研究证实组织工程支架几乎可完全修复骨软骨缺损,但当骨软骨缺损合并感染时,即使前期经过彻底的清创,单纯骨软骨组织工程支架的修复效果往往不理想。目的:制备盐酸万古霉素缓释微球丝素蛋白/壳聚糖/纳米羟基磷灰石支架,观察其... 详细信息

背景:大量研究证实组织工程支架几乎可完全修复骨软骨缺损,但当骨软骨缺损合并感染时,即使前期经过彻底的清创,单纯骨软骨组织工程支架的修复效果往往不理想。目的:制备盐酸万古霉素缓释微球丝素蛋白/壳聚糖/纳米羟基磷灰石支架,观察其对兔股骨远端感染性骨软骨缺损的修复效果。方法:①采用乳化溶剂挥发法制备盐酸万古霉素缓释微球;将不同质量(7.5,10,12.5 mg)的缓释微球分别与丝素蛋白-壳聚糖-纳米羟基磷灰石溶液混合,利用化学交联法制备盐酸万古霉素缓释微球丝素蛋白/壳聚糖/纳米羟基磷灰石支架,表征支架的孔隙率、吸水膨胀率、热水溶失率及体外药物缓释等。②将45只新西兰大白兔随机分为空白组、对照组、实验组,每组15只,均建立右后肢股骨远端骨软骨缺损并感染模型,空白组不作任何处理,对照组缺损处植入丝素蛋白-壳聚糖-纳米羟基磷灰石支架,实验组缺损处植入盐酸万古霉素缓释微球(10 mg)丝素蛋白/壳聚糖/纳米羟基磷灰石支架。术后1周,检测血液样本C-反应蛋白、白细胞水平;术后4,8,12周取术区组织,分别进行大体观察与病理学观察。结果与结论:①随着缓释微球含量的增加,支架的孔隙率降低,组间比较差异有显著性意义(P0.05);3组支架体外均可持续释放盐酸万古霉素达30 d以上。②实验组兔血液样本C-反应蛋白、白细胞水平均低于空白组、对照组(P<0.05);实验组兔术后各时间点的大体软骨修复情况明显好于空白组、对照组;苏木精-伊红、Masson、阿利新蓝及Ⅱ型胶原免疫组化染色显示,实验组兔术后各时间点的骨软骨修复效果明显优于空白组、对照组。③结果表明,盐酸万古霉素缓释微球丝素蛋白/壳聚糖/纳米羟基磷灰石支架能有效促进开放性骨软骨缺损的修复。

关键词：载药微球万古霉素骨软骨缺损组织工程丝素蛋白壳聚糖纳米羟基磷灰石支架

Detection of Increasingγ-Ray Emissions from 4FGL j1718.5+4237 with Fermi-LAT

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Research in Astronomy and Astrophysics 2024年第8期24卷 169-174页

作者： jiao Zheng Pengfei Zhang li Zhang Department of Astronomy School of Physics and AstronomyKey Laboratory of Astroparticle Physics of Yunnan ProvinceYunnan UniversityKunming 650091China School of Physics and Engineering Technology Xingyi Normal University for NationalitiesXingyi 562400China

We report a gradual brighteningγ-ray source,4FGL j1718.5+4237,in 0.1-500.0 GeV,which may be associated with a blazar NVSS j171822+423948 with a redshift of~*** analyzed 15.25 yr ofγ-ray data recorded by the Large Area Telescope on board the Fermi Gamma-ray Space Telescope and detected significantγ-ray emissions in the direction of the blazar with a test statistic(TS)of~*** on timing analysis using a 1 yr time bin,we have observed a gradual brightening inγ-ray emissions from the *** our analysis,we categorize them into two states:Quiet(TS~0)and Loud(TS~226)states,with the distinction occurring in 2016 August(MjD57602.69).From the Quiet state to the brightest period(the last data point),theγ-ray flux in 0.1-500.0 GeV increased by more than 12-fold from<0.2×10^(-8)photons cm^(-1)s^(-1)to 2.6×10^(-8)photons cm^(-1)s^(-1).Additionally,we studied the spectral properties in detail for the Loud state and the overall *** no significant variation was detected,both exhibited a spectral indexΓof~*** origin of the brighteningγ-ray emissions from the target is not yet *** long-term multi-wavelength observations and studies will provide insight into the astrophysical mechanisms of the target.

关键词： galaxies active-blazars individual(4FGL j1718.5+4237)

Short-term effects of low-level PM2.5,PM10,O3,and tropical meteorological conditions on emergency department visits for respiratory diseases in Haikou,China

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Asian Pacific journal of Tropical Medicine 2024年第7期17卷 317-328,I0010,I0011页

作者： jichao Peng jun Chen Xinxin Wu jin Qian Nan li Yang Yi Yue Huang juncai Lu Wenxing Zhang Zhengyu li Zhao li Min li Xiaoran liu School of Public Health Hainan Medical UniversityHaikou 571199China Danzhou People's Hospital Danzhou 571799China The Second Affiliated Hospital of Hainan Medical University Haikou 570105China The First Affiliated Hospital of Hainan Medical University Haikou 570102China Emergency and Trauma College Hainan Medical UniversityKey Laboratory of Emergency and Trauma of Ministry of EducationHaikou 571199China Hainan General Hospital Affiliated to Hainan Medical University Haikou 570311China

Objective:To assess the correlation between atmospheric pollutants,meteorological factors,and emergency department visits for respiratory diseases in Haikou ***:Daily data on atmospheric pollutants,meteorological factors,and emergency department visits for respiratory diseases in Haikou City from 2018 to 2021 were *** Spearman rank correlation test was used to analyze the correlation,and a distributed lag non-linear model was employed to analyze the health effects and lag impacts of environmental *** analyses were conducted based on sex and ***:According to the criteria of International Classification of Diseases(ICD-10:j00-j99),a total of 221913 cases were included,accounting for 21.3%of the total emergency department visits in Haikou *** every 1℃increase in temperature,the risk of emergency department visits increased by 1.029%(95%CI 1.016%-1.042%).Relative humidity greater than 80%reduced the risk of visits,while higher atmospheric pressure(>1010 hpa)also decreased the likelihood of daily emergency department *** concentrations of PM2.5(30-50μg/m^(3)),PM10(>60μg/m^(3)),and O_(3)(75-125μg/m^(3))were associated with increased *** temperatures(>25℃)have a greater impact on females and children aged 0-14 years,while males are more sensitive to low atmospheric *** aged 65 and above exhibited increased sensitivity to O_(3)concentration,and the effects of PM2.5,PM10,and O_(3)are more pronounced in individuals over 14 years ***:Short-term exposure to high temperatures,particulate matter pollutants(PM_(2.5)and PM_(10)),and ozone(O_(3))is associated with increased emergency department visits for respiratory diseases.

关键词： Distributed lag nonlinear model Meteorological factors Air pollution Emergency department visits Respiratory diseases