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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

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Journal of Magnesium and Alloys 2024年第2期12卷 815-824页

作者： Tangpeng Ma Jin Wang Kaiming Cheng Chengwei Zhan Jixue Zhou Jingyu Qin Guochen Zhao Xinfang Zhang Shandong Provincial Key Laboratory of High Strength Lightweight Metallic Materials Advanced Materials InstituteQilu University of Technology(Shandong Academy of Sciences)Jinan 250014China Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of EducationShandong UniversityJinan 250061China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics *** liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local *** Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid *** to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from *** is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn *** results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

关键词： Mg-Y-Zn Chemical environment Structural ordering ab-initio molecular dynamics

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Recent advances in protective technologies against copper corrosion

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Journal of materials Science & technology 2024年第34期201卷 75-94页

作者： Xiaomeng She Jian Peng Yujie Qiang Yue Zhou Song Zhang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology122 Luoshi RoadWuhan 430070China National Center for Materials Service Safety University of Science and Technology BeijingBeijing 100083China School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China

Copper,one of the most frequently utilized non-ferrous metals,finds extensive applications in the elec-trical industry,mechanical engineering,construction industry,and arm ***-term exposure to corrosive environments including moisture,sulfur,chlorine,and microbes induces corrosion,a signifi-cant factor contributing to material ***,numerous scientific endeavors have been directed towards the prevention of copper ***,coating copper with innovative materials like graphene,boron nitride,and various conductive polymers has proven effective in thwarting ***,the introduction of new organic compounds,including azole derivatives,amino acids,and N-heterocyclic carbenes,has bolstered the eco-friendliness and efficiency of corrosion inhibitors and molecular passivation ***,these approaches have been extensively investigated for their efficacy in antioxidation of copper *** study provides a comprehensive review of the latest advancements in protective technologies,such as anti-corrosion coatings,corrosion inhibitors,and molecular passivation layers,aimed at countering copper corrosion under aggressive conditions.

关键词： Copper corrosion Coating Corrosion inhibitor Molecular passivation

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Ultraviolet Photodetector based on Sr_(2)Nb_(3)O_(10) Perovskite Nanosheets

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Journal of Wuhan University of technology(materials Science) 2024年第2期39卷 282-287页

作者：张斌斌 JIA Mengmeng LIANG Qi WU Jinsong ZHAI Junyi 李宝文 School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China CAS Center for Excellence in Nanoscience Beijing Institute of Nanoenergy and NanosystemsChinese Academy of SciencesBeijin 100083China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Liquid-phase exfoliation was employed to synthesize Sr_(2)Nb_(3)O_(10) perovskite nanosheets with thicknesses down to 1.76 *** electron microscopy(TEM),atomic force microscope(AFM),X-ray photoelectron spectrometer(XPS),and other characterization techniques were used to evaluate the atomic structure and chemical composition of the exfoliated nanosheets.A UV photodetector based on individual Sr_(2)Nb_(3)O_(10) nanosheets was prepared to demonstrate the application of an ultraviolet(UV) *** UV photodetector exhibited outstanding photocurrent and responsivity with a responsivity of 3×10^(5) A·W^(-1) at 5 V bias under 280 nm illumination,a photocurrent of 60 nA,and an on/off ratio of 3×10^(2).

关键词： perovskite nanosheets liquid-phase exfoliation ultraviolet photodetector

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Design and high-strength origin of novel (CoFeNi)_(80)Ti_(5)V_(15) medium entropy alloy with “fcc + L1_(2) ”structure

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Journal of materials Science & technology 2023年第18期149卷 154-160页

作者： Lei Wang Xinyuan Wu Yuan Wu Gang Liu Zhenhua Han Yunpeng Zhang Yanning Su Shengfeng Kang Jun Shen Guojun Zhang School of Materials Science and Engineering Xi’an University of TechnologyXi’an 710048China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China

*** The multi-component high entropy alloys(HEAs)or medium entropy alloys(MEAs)attract reseachers’extensive attention,in particular,the single-face center cubic(fcc)HEAs or MEAs due to their some advantages,such as excellent ductility[1,2],good corrosion resistance[3]and high radiation tolerance[4].However,their strength is commonly insufficient for engineering ***,many investigations are ongoing to improve their strength by traditional strengthening mechanisms,like fine-grained strengthening[5,6],solid strengthening[6-8],strain strengthening[9],polyphase strengthening[10-12],and precipitation strength-ening[13-15].Among these strengthening mechanisms,the co-herent L1_(2)-type nanoparticles precipitation strengthening has been proven to be a very effective way to improve their strength[13-15].

关键词： strengthening strength alloy

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Probing the Nucleation and Growth Kinetics of Bismuth Nanoparticles via In-situ Transmission Electron Microscopy

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Journal of Wuhan University of technology(materials Science) 2024年第4期39卷 877-887页

作者：王浪李超凡 RAN Maojin YUAN Manman 胡执一 LI Yu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Nanostructure Research Centre(NRC) Wuhan University of TechnologyWuhan 430070China Institute of Chemistry Henan Academy of SciencesZhengzhou 450002China Henan Academy of Sciences Zhengzhou 450046China

The nucleation and growth mechanism of nanoparticles is an important theory,which can guide the preparation of ***,it is still lacking in direct observation on the details of the evolution of intermediate state structure during nucleation and *** this work,the evolution process of bismuth nanoparticles induced by electron beam was revealed by in-situ transmission electron microscopy(TEM)at atomic *** experimental results demonstrate that the size,stable surface and crystallographic defect have important influences on the growth of Bi *** non-classical growth paths including single crystal growth and polycrystalline combined growth,as well as,corresponding layer-by-layer growth mechanism along{012}stable crystal plane of Bi nanoparticles with dodecahedron structure were revealed by in-situ TEM *** results provide important guidance and a new approach for in-depth understanding of the nucleation and growth kinetics of nanoparticles.

关键词： bismuth nanoparticles crystal growth transmission electron microscopy in-situ electron microscopy

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The aging behavior,microstructure and mechanical properties of AlN/AZ91 composite

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Journal of Magnesium and Alloys 2023年第7期11卷 2458-2468页

作者： Yunxia Sun Changlin Yang Bin Zhang Jianfeng Fan Hongxiang Li Tianhao Zhao Jing Li State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’anShaanxi 710072PR China Yangtze River Delta Research Institute of NPU TaicangJiangsu 215400PR China Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024PR China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083PR China

Microstructure evolution and mechanical properties of the aging treated AlN/AZ91 composites were systematically investigated by optical microscopy(OM),high resolution scanning electron microscopy(HRSEM)with an energy dispersive spectrum(EDS),and high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM).The results show that the higher fracture elongation(14±1%)and ultimate tensile strength(275±6 MPa)were simultaneously obtained in the peak-aged AlN/AZ91 *** with AZ91 matrix alloy,the strength was increased by about 44%and the elongation was approximately five times higher,which mainly attributed to the precipitation of nano-sizedγ-Mg_(17)Al_(12)phase and the activation of non-basal slip systems induced by in-situ AlN particles at room ***,the in-situ formation of AlN reinforcements consumed part of Al element in the matrix alloy,which resulted into the volume fraction decreasing ofγ-Mg_(17)Al_(12)precipitates,and then the age hardening and strengthening efficiency were reduced in the AlN/AZ91 *** the other hand,the mismatch of thermal expansion coefficient between AlN particles and AZ91 matrix generated high density dislocations around AlN particles,which promoted the precipitation ofγ-Mg_(17)Al_(12)phase,and then the peak aging time and temperature were decreased.

关键词： Magnesium matrix composites In-situ AlN particles Aging behavior Microstructure Mechanical properties

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Fe doping 1T phase MoS_(2)with enhanced zinc-ion storage ability and durability for high-performance aqueous zinc-ion batteries

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Rare Metals 2025年第1期44卷 253-263页

作者： Jing-Yi Liu Rong-Jie Zhe Zhan-Hong Peng Yi-Hui Song Lin-Xuan Yang Chen Qing Jun-Ling Guo Jin-Ping Liu Yunnan Key Laboratory of Opto-Electronic Information Technology College of Physics and Electronic Information TechnologyYunnan Normal UniversityKunming 650000China Country State Center for International Cooperation on Designer Low-Carbon and Environmental Materials School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China School of Chemistry Chemical Engineering and Life ScienceState Key Laboratory of Advanced Technology for Materials Synthesis and ProcessingWuhan University of TechnologyWuhan 430070China

As a promising cathode material for aqueous zinc-ion batteries,1T-MoS_(2)has been extensively investigated because of its facile two-dimensional ion-diffusion channels and high electrical ***,the limited number of available Zn storage sites,i.e.,limited capacity,hinders its application because the inserted Zn^(2+),which form strong electrostatic interactions with 1T-MoS_(2),preventing subsequent Zn^(2+)***,the approach of enlarging the interlayer distance to reduce electrostatic interactions has been commonly used to enhance the capacity and reduce Zn^(2+)migration ***,an enlarged interlayer spacing can weaken the van der Waals force between 1T-MoS_(2)monolayers,easily disrupting the structural ***,to address this issue,an effective strategy based on Fe doping is proposed for 1T-MoS_(2)(Fe-1T-MoS_(2)).The theoretical calculations reveal that Fe doping can simultaneously moderate the rate of decrease in the adsorption energy after gradually increasing the number of stored atoms,and enhance the electron delocalization on metal-O ***,the experiment results show that Fe doping can simultaneously activate more Zn storage sites,thus enhancing the capacity,and stabilize the structural stability for improved cycling ***,Fe-1T-MoS_(2)exhibits a larger capacity(189 mAh·g^(-1)at 0.1 A·g^(-1))and superior cycling stability(78%capacity retention after 400 cycles at 2 A·g^(-1))than pure 1T-MoS_(2).This work may open up a new avenue for constructing high-performance MoS_(2)-based cathodes.

关键词： Aqueous zinc-ion battery 1T-MoS_(2) Fe doping More Zn storage sites Enhanced structural stability

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Mn,N co-doped Co nanoparticles/porous carbon as air cathode for highly efficient rechargeable Zn-air batteries Hide Author's Information

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Nano Research 2022年第3期15卷 1942-1948页

作者： Hanzhen Zheng Fei Ma Hongcen Yang Xiaogang Wu Rui Wang Dali Jia Zhixia Wang Niandi Lu Fen Ran Shanglong Peng National&Local Joint Engineering Laboratory for Optical Conversion Materials and Technology School of Physical Science and TechnologyLanzhou UniversityLanzhou 730000China State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals School of Material Science and EngineeringLanzhou University of TechnologyLanzhou 730050China

Oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)are generally catalyzed by precious metals(Pt)and metal oxides(IrO_(2))which still have many shortages including expensive price,poor selectivity and undesirable *** this work,we report a Mn0-doped CoN_(x) on N-doped porous carbon(Mn-CoN_(x)/N-PC)composite from carbonizing metal-organic framework(MOF)derivative as the dual-functional catalyst to boost both the ORR and OER *** to the strong coordination effect between nitrogen and metal elements,the introduction of N can obviously improve the content of Co-N-C active sites for ***,the Mn-doping significantly regulates the electronic structure of the Co element and increases the content of Co^(0) which provide efficient OER active ***-CoN_(x)/N-PC catalyst delivers super dual-functional activity with a half-wave potential of 0.85 V,better than the 20%Pt/C catalyst(0.82 V).When used in Zn-air batteries for testing,Mn-CoN_(x)/N-PC electrocatalyst shows a high power density(145 mW·cm^(−2))and good cycle performance.

关键词： bifunctional electrocatalysts Co-N-C Mn-doped Zn-air batteries

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Improved Double Deep Q Network Algorithm Based on Average Q-Value Estimation and Reward Redistribution for Robot Path Planning

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Computers, materials & Continua 2024年第11期81卷 2769-2790页

作者： Yameng Yin Lieping Zhang Xiaoxu Shi Yilin Wang Jiansheng Peng Jianchu Zou Key Laboratory of Advanced Manufacturing and Automation Technology Guilin University of TechnologyEducation Department of Guangxi Zhuang Autonomous RegionGuilin541006China Guangxi Key Laboratory of Special Engineering Equipment and Control Guilin University of Aerospace TechnologyGuilin541004China Guilin Mingfu Robot Technology Company Limited Guilin541199China Key Laboratory of AI and Information Processing Education Department of Guangxi Zhuang Autonomous RegionHechi UniversityYizhou546300China

By integrating deep neural networks with reinforcement learning,the Double Deep Q Network(DDQN)algorithm overcomes the limitations of Q-learning in handling continuous spaces and is widely applied in the path planning of mobile ***,the traditional DDQN algorithm suffers from sparse rewards and inefficient utilization of high-quality *** those problems,an improved DDQN algorithm based on average Q-value estimation and reward redistribution was ***,to enhance the precision of the target Q-value,the average of multiple previously learned Q-values from the target Q network is used to replace the single Q-value from the current target Q ***,a reward redistribution mechanism is designed to overcome the sparse reward problem by adjusting the final reward of each action using the round reward from trajectory ***,a reward-prioritized experience selection method is introduced,which ranks experience samples according to reward values to ensure frequent utilization of high-quality ***,simulation experiments are conducted to verify the effectiveness of the proposed algorithm in fixed-position scenario and random *** experimental results show that compared to the traditional DDQN algorithm,the proposed algorithm achieves shorter average running time,higher average return and fewer average *** performance of the proposed algorithm is improved by 11.43%in the fixed scenario and 8.33%in random *** not only plans economic and safe paths but also significantly improves efficiency and generalization in path planning,making it suitable for widespread application in autonomous navigation and industrial automation.

关键词： Double Deep Q Network path planning average Q-value estimation reward redistribution mechanism reward-prioritized experience selection method

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Methylthio side-chain modified quinoidal benzo-[1,2-b:4,5-b']dithiophene derivatives for high-performance ambipolar organic field-effect transistors

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Science China Chemistry 2024年第10期67卷 3357-3365页

作者： Li Chen Xiaoqi Luo Nuoya Li Shaoqian Peng Qing Jiang Di Wu Jianlong Xia State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhan 430070China School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China Department of Chemistry National University of SingaporeSingapore 117543Singapore

Quinoidal small molecule semiconductors hold huge potential in ambipolar organic field-effect transistors(OFETs)and organic spintronic ***,two quinoidal molecules with methylthio side chains were synthesized to develop molecular semiconductors with high ambipolar mobility,designated QBDTS and *** theoretical calculation results reveal that QBDTS has a closed-shell structure while QTBDTS showed an open-shell structure with a biradical character(y0)of 0.46 and its magnetic properties were further investigated using electron paramagnetic resonance(EPR)and superconducting quantum interference device(SQUID)*** methyl side chains showed a large impact on the molecular orbital *** HOMO/LUMO levels of QBDTS and QTBDTS were measured to be-5.66/-4.56 and-5.27/-4.48 eV,respectively,which are favorable for ambipolar charge transport in ***,the spin-coated QBDTS displayed hole and electron mobilities of 0.01 and 0.5 cm^(2)V^(-1)s^(-1)while QTBDTS showed a record high hole mobility of 1.8 cm^(2)V^(-1)s^(-1)and electron mobility of 0.3 cm^(2)V^(-1)s^(-1).Moreover,comparative studies of the thin film morphologies also manifested the beneficial influence of methyl side chains on film crystallinity and molecule *** results strongly proved that methyl side chain engineering can be a simple but efficient strategy for modulating electronic properties and molecular stacking *** work also represents a big advancement for quinoidal molecular semiconductors in ambipolar OFET applications.

关键词： side-chain modification quinoidal molecules ambipolar diradicals organic field-effect transistors

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