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Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H

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Chinese Journal of Chemical Physics 2015年第4期28卷 -页

作者： Tian-gang Yang long Huang Yu-run Xie Tao Wang Chun-lei Xiao zhi-gang Sun dong-xu Dai Key Laboratory of Materials Modification by Laser Electron and Ion Beams (Ministry of Education)School of Physics and Optoelectronic Technology Dalian University of Technology Dalian 116024ChinaState Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical Physics Chinese Academy of Science Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical Physics Chinese Academy of Science Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical Physics Chinese Academy of Science Dalian 116023 ChinaSynergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China Hefei 230026 ChinaDepartment of Chemical Physics University of Science and Technology of China Hefei 230026China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical Physics Chinese Academy of Science Dalian 116023 ChinaSynergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China Hefei 230026 China

The dynamics of the F+H2(v=0, j=0, 1) reactions have been studied at the collision energy of 1.27 kcal/mol using a high-resolution crossed molecular beam apparatus. HF product rotational state resolved differential cross sections have been obtained at the v′=1, 2, 3 levels. The product HF(v′=2) angular distributions are predominantly backward scattered for both H2 (j=0, 1) reagents. However, the distributions of product HF(v′=2) rotational states for the F+H2(v=0, j=0) reaction are significantly different from those for the F+H2(v=0, j=1) reaction. Experimental results show that the rotational excitation of H2 produces rotationally ‘hotter' HF(v′=2) product. In addition, the HF(v′=3) product is more likely scattered into the forward direction when the H2 reagent is populated at j=0 state, which could be attributed to a slow-down mechanism.

关键词： Crossed molecular beam Rydberg tagging Differential cross sections

Research on droplet formation and dripping behavior during the electroslag remelting process

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International Journal of Minerals,Metallurgy and Materials 2016年第4期23卷 399-407页

作者： Yu-long Cao Yan-wu dong Zhou-hua Jiang Hai-bo Cao dong Hou Qian-long Feng School of Materials and Metallurgy Northeastern University

A better understanding of droplet formation and dripping behavior would be useful in the efficient removal of impurity elements and nonmetallic inclusions from liquid metals. In the present work, we developed a transparent experimental apparatus to study the mechanisms of droplet formation and the effects of filling ratio on droplet behavior during the electroslag remelting（ESR） process. A high-speed camera was used to clearly observe, at small time scales, the droplet formation and dripping phenomenon at the slag/metal interface during a stable ESR process. The results illustrate that a two-stage process for droplet formation and dripping occurs during the ESR process and that the droplet diameter exhibits a parabolic distribution with increasing filling ratio because of the different shape and thermal state of the electrode tip. This work also confirms that a relatively large filling ratio reduces electricity consumption and improves ingot quality.

关键词： electroslag remelting droplets dripping physical simulation

Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng dong He Qiang Sun Xuhang Ma Francesco Lamberti Zhubing He Department of Materials Science and Engineering Institute of Innovative Materials (I2M) Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)Southern University of Science and Technology (SUSTech) Core Research Facilities Southern University of Science and Technology Department of Chemical Sciences Department of Industrial Engineering University of Padova

Widely used spin-coated nickle oxide （NiOx） based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells （PSCs） fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency （PCE） of up to 19.93%and demonstrated enhanced stability,maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10（9H）-yl)butyl)p hosphonic acid （DMAcPA）,the device PCE was further promoted to 23.07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Nickle oxide Magnetron sputter Defect Stability Perovskite solar cell

Utility-based Consensus Analysis in Non-homogeneous Decision Environment

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Utility-based Consensus Analysis in Non-homogeneous Decision...

Metallurgy and Solidification Microstructure Control of Fusion-Based Additive Manufacturing Fabricated Metallic Alloys:A Review

第25届中国控制与决策会议

作者： Quan Zhang Xiao-dong Fan Ju-zhi Li Tian-long Xu School of Information Engineering ShenYang University of Technology

ISBN: (纸本)9781467355339

In uncertain decision environment, multiple decision makers are always invited to give their preference information on alternatives. Different formats of preference information would be employed because of decision makers’ different culture and education backgrounds. In this study, six types of preference information are used by the decision makers and normalized into utility values. The individual preference information is aggregated into social opinions based on which the best alternative is selected. Group consensus is measured to verify the decision making process.

关键词： Multiple attribute decision making Preference information Utility Value Uniformity Group consensus

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Acta Metallurgica Sinica(English Letters) 2024年第1期37卷 29-53页

作者： Qiang Li Xing-Ran Li Bai-Xin dong Xiao-long Zhang Shi-Li Shu Feng Qiu Lai-Chang Zhang zhi-Hui Zhang Key Laboratory of Bionic Engineering(Ministry of Education) and College of Bionic Science and EngineeringJilin UniversityChangchun130022China Institute of Structured and Architected Materials Liaoning Academy of MaterialsShenyang110167China Key Laboratory of Automobile Materials Ministry of Education and Department of Materials Science and EngineeringJilin UniversityChangchun130025China School of Mechanical and Aerospace Engineering Jilin UniversityChangchun130025China School of Engineering Edith Cowan University270 Joondalup DriveJoondalupPerthWA6027Australia

The metal-based additive manufacturing(AM),also referred to as metal 3D printing,has drawn particular interest because it enables direct creation,aided by computationally-directed path design,of intricate components with site-specific compositions and geometrical requirements as well as low buy-to-fly *** the last two decades,the objective of this revolutionary technology has been shifting from only“rapid prototyping”to advanced manufacturing of special high-end products or devices,which,in many aspects,outperform conventional manufacturing *** fusion-based AM,significant progress has been achieved in understanding the processing window of macroscopic scales,non-equilibrium metallurgy of mesoscale scales,and grain evolution of microscopic *** the versatile capacity of AM facilitates new avenues for discovering advanced materials and structures,their potential has still not been fully *** the unique non-equilibrium solidification during the AM process,coarse columnar grains with strong textures are usually developed along the build direction,which downgrades the mechanical *** push the limits of this digital manufacturing,this review attempts to provide in-depth and comprehensive overviews of the recent progress in understanding the evolution and control of the as-built microstructure that has been made recently and the challenges encountered during the AM process.

关键词： Additive manufacturing Temperature field Microstructure control Nanoparticles Functionally graded materials

Quantitative Proteomic Studies on TNBC in Premenopausal Patients

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Chemical Research in Chinese Universities 2013年第3期29卷 500-505页

作者： LIANG Jin-long LI Si-jie LIU Xiang-guo LI Wan-feng HAO dong-yun FAN zhi-min Department of Breast Surgery the First Hospital of Jilin University Changchun 130021 P. R. China Department of General Surgery Heilongjiang Province Hospital Harbin 150001 P. R. China Biotechnology Research Centre Jilin Academy of Agricultural Sciences Changchun 130033 P. R. China

The molecular mechanism of triple-negative breast cancer（TNBC） remains unclear, and there has been no effective targeted therapy for it. A better understanding of the mechanisms of TNBC is urgently needed to identify new therapeutic targets. In this study, eight cases of premenopausal TNBC patients were collected, and a comparative proteomic analysis of their breast cancer tissues and matched paraneoplastic ones was performed via isobaric tags for relative and absolute quantitation（iTRAQ） technology coupled with two-dimensional liquid chromatography-tandem mass spectrumetry（2D LC-MS/MS）. The researches result in the identification of 1254 nonredundant proteins, of which 1243 proteins reached the strict quantitative standard. The quantitative comparison reveal that among the 214 proteins, 81 proteins significantly increased and 133 proteins decreased in TNBC tissues compared to corresponding ones in control. The Gene Ontology（GO） annotations and pathway analysis show their distributions in GO and the marked functions, as well as the closely related signal transduction pathways involved in extra cellular matrix （ECM）-receptor interaction, protein digestion and absorption, renin-angiotensin system, complement and coagulation cascades and focal adhesion. This pilot study will lay a foundation for further searching for therapeutic targets of TNBC and exploring the molecular mechanism, which can also be extended as a part of a large scale biomarker discovery plan.

关键词： Triple-negative breast cancer(TNBC) Proteomics Isobaric tags for relative and absolute quantitation (iTRAQ) Mass spectrometry

B位掺杂提升CsSnI_(3)钙钛矿结构和电荷稳定性的第一性原理研究

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原子与分子物理学报 2025年第6期42卷 144-152页

作者：赵思健葛治中杨旭东上海交通大学材料科学与工程学院上海200240

全无机CsSnI_(3)钙钛矿拥有理想的带隙宽度(1.3 eV),光电转化效率理论峰值达到33%.目前CsSnI_(3)太阳能电池的发展受制于的CsSnI_(3)的结构不稳定性和Sn^(2+)易被氧化为Sn^(4+)的问题.研究基于第一性原理,详细探讨了一系列金属元素对CsS... 详细信息

全无机CsSnI_(3)钙钛矿拥有理想的带隙宽度(1.3 eV),光电转化效率理论峰值达到33%.目前CsSnI_(3)太阳能电池的发展受制于的CsSnI_(3)的结构不稳定性和Sn^(2+)易被氧化为Sn^(4+)的问题.研究基于第一性原理,详细探讨了一系列金属元素对CsSnI_(3)进行B位掺杂改性的方案,旨在提升CsSnI_(3)结构稳定性,并抑制CsSnI_(3)中Sn^(2+)被氧化为Sn^(4+)的问题.计算结果表明,在CsSnI_(3)钙钛矿B位掺杂三价金属Sb、Bi能够阻碍CsSnI_(3)相变生成Cs_(2)SnI_6,并且抑制Sn^(2+)的氧化;尤其在晶格中存在锡空位缺陷时,Sb、Bi掺杂对于Sn^(4+)形成的抑制效果更为显著.同时,低浓度的Sb、Bi掺杂不会改变CsSnI_(3)的直接带隙特性,且带隙宽度变化较小,因此能够在维持CsSnI_(3)优良光电活性的基础上进一步提高结构和电荷的稳定性.研究结果为实现高效且稳定的CsSnI_(3)钙钛矿太阳能电池提供了重要的理论指导.

关键词：全无机锡基钙钛矿第一性原理 B位掺杂相稳定性电子结构

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Sulfur dioxide gas sensing at room temperature based on tin selenium/tin dioxide hybrid prepared via hydrothermal and surface oxidation treatment

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Rare Metals 2021年第6期40卷 1588-1596页

作者： Qian-Nan Pan zhi-Min Yang Wei-Wei Wang dong-zhi Zhang College of Control Science and Engineering China University of Petroleum(East China)Qingdao 266580China

In this paper,a novel SnSe/SnO_(2) nanoparticles(NPs) composite has been successfully fabricated through hydrothermal method and surface oxidation *** as-prepared sample was characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),X-ray photoelectron spectroscopy(XPS) and transmission electron microscopy(TEM).A series of morphological and structural characteristics confirm that the SnSe/SnO_(2) NPs composite shows a core-shell structure with a SnO_(2) shell with thickness of 6 *** prepared SnO_(2) NPs and SnSe/SnO_(2) NPs composite were applied as gas-sensing materials,and their gas-sensing properties were investigated at room temperature *** results show that the response value of the SnSe/SnO_(2) composite sensor toward 100×10^(-6) SO_(2) is 15.15%,which is 1.32 times higher than that of pristine SnSe(11.43%).And the SnSe/SnO_(2) composite sensor also has a detection limit as low as 74×10^(-9) and an ultra-fast response *** enhanced gas-sensing performance is attributed to the formation of p-n heterojunction between SnSe and SnO_(2) and the appropriate SnO_(2) shell thickness.

关键词： SO_(2)gas sensor Room temperature detection Core-shell structure SnSe/SnO_(2)composite Debye length

Synthesis,Biological Evaluation and Molecular Modeling of Cyclic Tetrapeptide Based Inhibitors HDAC

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Chemical Research in Chinese Universities 2012年第6期28卷 1011-1016页

作者： LI Xiao-hui WEI Ying-dong WANG Shi-miao WANG Meng-nan HUANG Da-wei XIU zhi-long School of Life Science and Biotechnology Dalian University of Technology Dalian 116024 P. R. China

Histone deacetylases（HDACs） are considered to be among the most promising targets for the development of anti-cancer drugs,and HDAC inhibitors（HDACIs） have become a promising class of anti-cancer *** explore whether thioacetyl group as the zinc binding group（ZBG） and a slight change in the hydrophobicity of the recognition domain of HDACIs could alter their activities,we synthesized a series of cyclo[-L-Am7（SAc）-Aib-L-Phe（n-Cl）D-Pro-] and evaluated their HDAC-inhibitory and antiproliferative *** results show that these peptides could inhibit HDAC at 10-9 mol/L level,and could selectively inhibit the proliferation of three human cancer cell lines with IC 50 at 10-6 mol/L *** study was conducted to examine the mechanisms by which these peptides interact with *** appeared that a zinc ion in the active site of HDAC was coordinated by the carbonyl oxygen atom of the ZBG in the *** the ZBG domain of all the peptides and the surface recognition domain of cyclo[-L-Am7（SAc）-Aib-L-Phe（o-Cl）-D-Pro-] and that of cyclo[-L-Am7（SAc）-Aib-L-Phe（m-Cl）-D-Pro-] interacted with HDAC2 via hydrogen *** interaction has been considered to provide favorable contributions to stabilizing the complexes,and the introduction of a chlorine atom at the aromatic ring on the L-Phe position of these peptides affected the interaction between each of these inhibitors and the enzyme,resulting in slight change in the structure of the surface recognition domain of the peptides.

关键词： Histone deacetylase(HDAC) Histone deacetylase inhibitor(HDACI) Cyclic tetrapeptide Anti-cancer agent Antiproliferative activity Docking