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Temperature Effect on the Conformation Transition of Ultra-high Molecular Weight Polyethylene/Polypropylene Blends Undergoing Continuous Volume Extensional Flow:A Mesoscopic Simulation

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Journal of Wuhan University of technology(Materials science) 2022年第3期37卷 540-545页

作者： WANG Junxia YAN Shilin YU Dingshan Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education and Key Laboratory of High Performance Polymer-based Composites of Guangdong Province School of ChemistrySun Yat-Sen UniversityGuangzhou510275China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan 430070China

Due to the multiformity and complexity of chain conformation under external flow and the challenge of systematically investigating the transient conformation and dynamic evolution process of polymer chains at the molecular level by means of present experimental techniques,a universal description of both chain conformation and dynamics with respect to continuous volume extensional flow(CVEF)is still *** into account the temperature effect,we performed dissipative particle dynamics(DPD)simulations with the particles corresponding to the repeat units of polymers over a wide temperature range and analyzed the correlation with the conformational properties of ultra-high molecular weight polyethylene/polypropylene(UHMWPE/PP)blend in response to the *** time evolution,the polymer chains become highly oriented parallel to the flow direction instead of the initial random coiling and *** is found that a high temperature is necessary for more substantial compactness to take place than low *** low-k plateau and low-k peak in structure factor S(k)curves suggest a low degree of conformational diversity and a high degree of chain *** is also concluded that the intra-molecular C-C bond interaction is the main driving force for the dynamics process of the chain conformations undergoing CVEF,where the motion of the alkyl chains is seriously restricted owing to the increase in bond interaction potential,resulting in a reduction of the difference in diffusion rates among alkyl chains.

关键词： temperature effect dissipative particle dynamics ultra-high molecular weight polyethylene polypropylene volume extensional flow chain conformation blends

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Achievements,challenges,and future prospects for industrialization of perovskite solar cells

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Light(science & Applications) 2024年第10期13卷 2027-2074页

作者： Chuang Yang Wenjing Hu Jiale Liu Chuanzhou Han Qiaojao Gao Anyi Mei Yinhua Zhou Fengwan Guo Hongwei Han Michael Gratzel Center for Mesoscopic Solar Cells Wuhan National Laboratory for OptoelectronicsKey Laboratory of Materials Chemistry for Energy Conversion and Storage of Ministry of EducationHuazhong University of Science and TechnologyWuhan 430074 HubeiChina Collaborative Innovation Center for Advanced Organic Chemical Materials Co-constructed by the Province and Ministry of Education Key Laboratory for the Synthesis and Application of Organic Functional MoleculesCollege of Chemistry and Chemical EngineeringHubei UniversityWuhan 430062 HubeiChina

In just over a decade,certifed single-junction perovskite solar cells(PSCs)boast an impressive power conversion efficiency(PCE)of 26.1%.Such outstanding performance makes it highly viable for further ***,we have meticulously outlined challenges that arose during the industrialization of PSCs and proposed their corresponding solutions based on extensive *** discussed the main challenges in this field including technological limitations,multi-scenario applications,sustainable development,*** photovoltaic solutions provide the perovskite community with invaluable insights for overcoming the challenges of *** the upcoming stages of PSCs advancement,it has become evident that addressing the challenges concerning long-term stability and sustainability is *** this manner,we can facilitate a more effective integration of PSCs into our daily lives.

关键词： perovskite viable concerning

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Phthalocyanine self-assembled nanoparticles for type I photodynamic antibacterial therapy

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Chinese Chemical Letters 2024年第12期35卷 511-516页

作者： Wei Su Xiaoyan Luo Peiyuan Li Ying Zhang Chenxiang Lin Kang Wang Jianzhuang Jiang Guangxi Key Laboratory of Natural Polymer Chemistry and Physics Nanning Normal UniversityNanning 530000China College of Pharmacy Guangxi University of Chinese MedicineNanning 530000China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline MaterialsDepartment of Chemistry and Chemical EngineeringSchool of Chemistry and Biological EngineeringUniversity of Science and Technology BeijingBeijing 100083China

Most photodynamic therapies(PDT)rely on reactive oxygen species(ROS)produced by type II mecha ***,since the production of type I ROS is not limited by oxygen content,making it more favorable for antimicrobial phototherapy in complex ***,we report a substituen cationization design strategy that not only improves the hydrophilicity of the prepared phthalocyanine molecule,but also promotes the electron transfer process in the photosensitizer,resulting in the strong type I photodynamic effect of the phthalocyanine self-assembled photosensitizer to efficiently generate O_(2)^(·-)under both normal and hypoxic *** in combination with its excellent bacteria recogni tion capability derived from the cationic part on its surface and intrinsic photothermal therapy effect o the phthalocyanine macrocycle endows the phthalocyanine self-assembled photosensitizer with excellen phototherapeutic antimicrobial properties in preclinical models,effectively promoting the wound healing *** work provides a promising strategy for designing efficient multi-mode photosensitizers.

关键词： Phthalocyanine Nanoparticles Photodynamic therapy Type I reactive oxygen species Antibacterial therapy

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DFT-assisting discovery and characterization of a hexagonal MABphase V_(3)PB_(4)

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Journal of Materiomics 2023年第6期9卷 1141-1150页

作者： Hang Yin Xiaodong He Jinze Zhang Guangping Song Yongting Zheng Yuelei Bai National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of TechnologyHarbin150080China

A 314-type MAB phase V_(3)PB_(4)with hexagonal crystal structure is synthesized by self-propagating high temperature combustion synthesis(SHS),with the help of the full first-principles predictions for the phase stability and adiabatic combustion temperature of *** XRD and TEM,V_(3)PB_(4)crystallizes in the space group of P6m2,with the lattice parameters a?3.030Åand c=9.148Å,of much interest,well with the predicted ***,the electronic structure,chemical bonding,and elastic properties of hex-V_(3)PB_(4)are predicted by *** bandgap around Fermi energy indicates its electronic *** the strong covalent bonding is present between the B and V atoms with,significantly,much weaker V-P *** the help of the theoretical model of bond stiffness,the significantly high ratio of bond stiffness of weakest bonds to the strongest ones(0.873)of hex-V_(3)PB_(4)indicates its poor damage tolerance and fracture *** high bond stiffness results in its high moduli in comparison with other MAB *** the number of inserted P atoms increases,the engineering elastic modulus decrease,without the price of an increase in density.

关键词： MAB phase Borides Hexagonal First principles Combustion synthesis

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Theoretical screening,intrinsic brittleness and thermal properties of the S-containing MAX carbides and borides

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Journal of Materiomics 2023年第6期9卷 1056-1066页

作者： Zhiyao Lu Xiaodong He Hang Yin Jinze Zhang Guangping Song Yongting Zheng Yuelei Bai National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structure Harbin Institute of TechnologyHarbin150080China

To respond the recent experimental advances,the phase stability,mechanical properties,phonon as well as infrared-and Raman-active modes,thermal expansion and heat capacity were investigated by density functional theory for the S-containing MAX carbides and borides(M fromⅢB toⅧB),of importance,well consistent with the available experimental *** examining the thermodynamic competition with all the competing phases and intrinsic stability by their lattice dynamics,18 MAX phases were screened out from 138 *** the“bond stiffness”model as well as the associated criterion for damage tolerance and fracture toughness,the ratio of bond stiffness of weakest M-S to the strongest MX bonds(k_(min)/k_(max))over 1/2 indicates their intrinsic brittleness of all S-containing MAX phases except *** the contributions from phonon and electrons,their linear thermal expansion coefficients[(8.1e13.6)×10^(-6)K^(-1),300-1,300 K]and heat capacities(Cp)as a function of temperature are *** much interest,a well-established relationship between molar C_(p)of the MAX and MX phases is theoretically deduced in the present work.

关键词： Phase stability Intrinsic brittleness Thermal expansion Heat capacity

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The rise of two-dimensional tellurium for next-generation electronics and optoelectronics

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Frontiers of physics 2023年第3期18卷 27-50页

作者： Tao Zhu Yao Zhang Xin Wei Man Jiang Hua Xu State Key Laboratory of Photon-Technology in Western China Energy International Collaborative Center on Photoelectric Technology and Nano Functional MaterialsInstitute of Photonics&Photon TechnologySchool of PhysicsNorthwest UniversityXi’an 710069China Key Laboratory of Applied Surface and Colloid Chemistry of Ministry of Education Shaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi’an 710119China

Single-element two-dimensional(2D)tellurium(Te)which possesses an unusual quasi-one-dimensional atomic chain structure is a new member in 2D materials family.2D Te possesses high carrier mobility,wide tunable bandgap,strong light-matter interaction,better environmental stability,and strong anisotropy,making Te exhibit tremendous application potential in next-generation electronic and optoelectronic ***,as an emerging 2D material,the research on fundamental property and device application of Te is still in its ***,this review summarizes the most recent research progresses about the new star 2D Te and discusses its future development ***,the structural features,basic physical properties,and various preparation methods of 2D Te are systemically ***,we emphatically summarize the booming development of 2D Te-based electronic and optoelectronic devices including field effect transistors,photodetectors and van der Waals heterostructure ***,the future challenges,opportunities,and development directions of 2D Te-based electronic and optoelectronic devices are prospected.

关键词： two-dimensional materials tellurium van der Waals heterostructure electronic optoelectronic

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High-Efficiency(Over 10%) Parallel Tandem Dye-Sensitized Solar Cells Based on Tri-Carbon Electrodes

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Transactions of Tianjin University 2022年第5期28卷 414-422页

作者： Wu Shao Wenjun Wu Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center Shanghai Key Laboratory of Functional Materials ChemistryEast China University of Science and TechnologyShanghai 200237China

Ensuring high power conversion efficiency,partially or completely replacing Pt electrodes with inexpensive materials is one of the important development directions of dye-sensitized solar cells(DSSCs).In this work,we have developed a threecomponent(MWCNTs,carbon black and graphite) carbon(tri-carbon) electrode material for DSSC devices combined with the advantages of high electron transfer kinetics of MWCNTs,plentiful catalytic sites in crystal edges of carbon black and superior electrical conductivity and catalytic activity of *** a tri-carbon electrode,a Pt electrode,and two N719-sensitized photoanodes,a parallel tandem dye-sensitized solar cells are assembled obtaining a high PCE of 10.26%(V_(OC)=0.70 V,J_(SC)=19.99 mA/cm~2,FF=73.33%).It opens up a new avenue for the development of low-cost and highperformance DSSCs.

关键词： Dye-sensitized solar cells MWCNTs Carbon black Graphite Counter electrode

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Rationally Leveraging Polymer Chain-Length Heterogeneity for Robust Structural Engineering

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CCS Chemistry 2024年第8期6卷 1965-1977页

作者： Zhanhui Gan Luyang Li Dongdong Zhou Zhuoqi Xu Zhuang Ma Jiawen He Weihua Li Xue-Hui Dong South China Advanced Institute for Soft Matter Science and Technology School of Emergent Soft MatterSouth China University of TechnologyGuangzhou 510640 State Key Laboratory of Molecular Engineering of Polymers Key Laboratory of Computational Physical SciencesDepartment of Macromolecular ScienceFudan UniversityShanghai 200433 College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065 Guangdong Provincial Key Laboratory of Functional and Intelligent Hybrid Materials and Devices South China University of TechnologyGuangzhou 510640

The inherent uncertainty of chain length in synthetic polymers casts doubt on the explicit understanding of fundamental *** study quantitatively assesses the critical role of chain-length distribution in the self-assembly process,aiming to identify the point at which discernible discrepancies begin to *** blending discrete diblock copolymers of varying sizes,chain-length nonuniformity can be precisely regulated while the average composition remains *** a minor heterogeneity leads to an expansion of lattice dimension,while a phase transition occurs as the difference exceeds a ***,a transition from the Frank–Kasperσphase to the body-centered cubic phase was triggered by enlarging the size difference of the corona block,while introducing heterogeneity in the core block stabilized the hexagonally close-packed spheres.A self-consistent field theory calculation reveals that the synergy between the long and short chains effectively releases packing frustration,leading to substantial changes in the free-energy landscape and stabilizing unconventional phases otherwise *** work calls particular attention to the importance of chain-length heterogeneity and provides a robust approach to finely tuning the phase behavior and physical properties of block copolymers without altering their chemical composition.

关键词： discrete polymer molecular weight distribution self-assembly hexagonally close-packed phase Frank-Kasper phases

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Key materials for extreme high-temperature environments: Ultra-high-temperature ceramics and their composites

Extreme Materials

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Extreme Materials 2025年第1期1卷 38-66页

作者： Yuxuan Liu Hui Wang Jianchao Hao Yuan Cheng Shun Dong Ping Hu Wenbo Han Xinghong Zhang National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of Technology Harbin 150001 China

With the advancement of hypersonic vehicles, extreme high temperature environments have imposed increasingly stringent requirements on the performance of thermal protection systems. Consequently, the development of high-performance thermal protection materials capable of withstanding extreme conditions has become a primary focus of current research. Ultra-high temperature ceramics (UHTCs) and their composites, known for their excellent oxidation resistance and ablation performance, are regarded as highly promising non-ablative thermal protection materials. This paper provides a systematic review of recent research progress on UHTC composites in several key areas, including innovations and optimizations in fabrication processes, exploration of toughening strategies and mechanisms, in-depth studies on oxidation and ablation resistance mechanisms, and the development and potential applications of high-entropy ceramics. Furthermore, the paper discusses the practical application prospects of UHTCs and their composites in extreme environments, analyzes the current technical challenges, and proposes future research directions and priorities.

关键词： Extreme environments materials Ultra-high temperature ceramics (UHTCs) Toughening and strengthening Oxidation and ablation Hypersonic vehicles

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Recent progress in metal-organic frameworks(Part Ⅱ—material application)

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science China Chemistry 2025年第5期68卷 1642-1702页

作者： Jiandong Pang Wentao Jiang Xue-Wen Zhang Hao-Long Zhou Yuxiu Sun Wei Gong Bin Wang Fuyin Ma Linwei He Long Chen Qiang Chen He-Qi Zheng Yuanjing Cui Wen-Jie Shi Chao Zhang Mei Wang Yue-Biao Zhang Jie-Peng Zhang Chongli Zhong Yong Cui Shuao Wang Jian-Rong Li Guodong Qian Tong-Bu Lu Huan Pang Xian-He Bu School of Materials Science and Engineering Nankai University School of Physical Science and Technology Shanghai Tech University MOE Key Laboratory of Bioinorganic and Synthetic Chemistry GBRCE for Functional Molecular EngineeringSchool of ChemistryIGCMESun Yat-sen University Department of Chemistry Shantou University School of Chemical Engineering and Technology Tiangong University School of Chemistry and Chemical Engineering Shanghai Jiao Tong University State Key Laboratory of Radiation Medicine and Protection School for Radiological and Interdisciplinary SciencesSoochow University College of Materials Science & Engineering Beijing University of Technology State Key Laboratory of Silicon and Advanced Semiconductor Materials Cyrus Tang Center for Sensor Materials and ApplicationsSchool of Materials Science & EngineeringZhejiang University Institute for New Energy Materials and Low Carbon Technologies School of Materials Science and EngineeringTianjin University of Technology School of Chemistry and Chemical Engineering Yangzhou University

As a class of functional crystalline porous materials, metal-organic frameworks(MOFs) gained rapid development in the past three decades and a large number of MOFs with ordered structures, high surface areas, and functionalized channels have been investigated. MOFs and MOF-derived/composite materials show great potential in many application fields. In this review, we discussed the main applications of MOFs and MOF-derived/composite materials in small molecule storage, separation, luminescence, sensing, multitype catalysis, and energy storage. In addition, challenges and problems in the future research of MOFs-related fields are also discussed.

关键词： metal-organic frameworks storage and separation sensing and detection multitype catalysis energy storage

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