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Electronic structures and strengthening mechanisms of superhard high-entropy diborides

Rare Metals 2023年第2期42卷 614-628页

作者： Gang Yao William-Yi Wang Pei-Xuan Li Ke Ren Jia-Qi Lu Xing-Yu Gao De-Ye Lin Jun Wang Yi-Guang Wang Hai-Feng Song Zi-Kui Liu Jin-Shan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an710072China Innovation Center NPU ChongqingChongqing401135China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing100088China Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing100081China Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA

High-entropy diborides(HEBs)have attracted extensive research due to their potential ultra-high *** the present work,the effects of transition metals(TM)on lattice parameters,electron work function(EWF),bonding charge density,and hardness of HEBs are comprehensively investigated by the first-principles calculations,including(TiZrHfNbTa)B_(2),(TiZrHfNbMo)B_(2),(TiZrHfTaMo)B_(2),(TiZrNbTaMo)B_(2),and(TiHfNbTaMo)B_(2).It is revealed that the disordered TM atoms result in a severe local lattice distortion and the formation of weak *** view of bonding charge density,it is understood that the degree of electron contribution of TM atoms directly affects the bonding strength of the metallic layer,contributing to the optimized hardness of ***,the proposed power-law-scaled relationship integrating the EWF and the grain size yields an excellent agreement between our predicted results and those reported experimental *** is found that the HEBs exhibit relatively high hardness which is higher than those of single transition metal *** particular,the hardness of(TiZrNbTaMo)B_(2)and(TiHfNbTaMo)B_(2)can be as high as29.15 and 28.02 GPa,*** work provides a rapid strategy to discover/design advanced HEBs efficiently,supported by the coupling hardening mechanisms of solid solution and grain refinement based on the atomic and electronic interactions.

关键词： High-entropy diborides(HEBs) Hardness Electronic structure Lattice distortion Power-law

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Interface passivation engineering for hybrid perovskite solar cells

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materials Reports(Energy) 2021年第4期1卷 22-33页

作者： Wenjian Shen Yao Dong Fuzhi Huang Yi-Bing Cheng Jie Zhong Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Foshan528216Guangdong ProvincePR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070PR China

The allure of high efficiency and low-temperature solution-processed organic-inorganic hybrid perovskite solar cells(PSCs)are inspiring scientists to seek for its *** passivation engineering has become an effective way to further enhance the efficiency and stability of PSCs by defect passivation,reduces the charge recombination and ion migration initiation and hysteresis control,***,we have summarized the effects and recent research progress of interface passivation engineering in *** passivation layers can be realized by using the solution and/or vacuum evaporation processes which are very adaptable to varied materials with different properties and fabrication processes for enhanced photovoltaic performance and stability.

关键词： Perovskite solar cells Charges recombination Interface passivation engineering Hysteresis effect PSCs stability Solution processes Vacuum evaporation

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Novel smart coaxial electrospinning textiles for efficient thermal interface management and electromagnetic compatibility in electronics

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Chemical Engineering Journal 2023年第1期472卷

作者： Song, Shaokun Ai, Hong Lv, Linda Guo, Yi Han, Ting Dong, Lijie Center for Smart Materials and Devices State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China

Phase change materials (PCMs) have attracted considerable attention for their energy storage and thermoregulatory properties. However, the solid–liquid leakage, low thermal conductivity, and single functionality of PCMs hinder their applications to electronic equipment. In this study, polyvinyl alcohol (PVA) and polyethylene oxide/ferric oxide (PEO/Fe3O4)-based core–sheath textiles are prepared using an eco-friendly coaxial electrospinning technique and simple steam crosslinking. The composite phase change fibers (CPCFs) and magnetic composite phase change fibers (MCPCFs) produced in this way show ultrahigh encapsulation ratios of 78.02 wt% and 69.11 wt%, respectively, and high phase change enthalpies of 106.96 J g−1 and 94.75 J g−1, respectively. The addition of Fe3O4 (20 wt%) introduces a saturation magnetization of 9.5 emu g−1, thereby realizing 3 dB electromagnetic shielding performance. The textiles exhibit excellent flexibility and can be formed into complex shapes. Owing to their core–sheath structure, the CPCFs and MCPCFs exhibit outstanding structural and thermal stabilities during 100 thermal cycles. Furthermore, the mechanical properties of the CPCF and MCPCF textiles can be enhanced by crosslinking. © 2023 Elsevier B.V.

关键词： Phase change materials

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Additive Engineering in Spray Enables Efficient Methylammonium-Free Wide-Bandgap Perovskite Solar Cells

SSRN

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SSRN 2023年

作者： Chen, Xiao Geng, Cong Yu, Xinxin Feng, Yishuai Liang, Cheng Peng, Yong Cheng, Yibing State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Wuhan430070 China

Spray coating is an emerging technique, paving the way for the commercialization of perovskite. However, it still faces challenges in the preparation of wide-bandgap (WBG) perovskite solar cells (PSCs) for tandem photovoltaic devices. Applying a two-step evaporate-spray method, and an additive engineering strategy, where n-propylammonium chloride is introduced in spray processing, we fabricate efficient and stable methylammonium-free (MA-free) WBG PSCs. The propylammonium cation plays a role in passivating grain boundaries, which resulted in the reduction of vacancy defects on the surface of films. Cl- plays a big part in the crystal growth process. After the addition of PACl, preferred crystalline orientation, larger grain size, and reduced trap density in perovskite films are obtained. Finally, the champion WBG PSC (Energy gap (Eg), Eg≈1.68 eV) delivers a power conversion efficiency (PCE) over 19%, which is the highest efficiency of the WBG PSCs prepared by the evaporate-spray method, as compared to pristine devices with the highest PCE of 16.59%. Additionally, the barrier against moisture formed at the surface of films significantly enhances humidity stability of the photovoltaic (PV) device. © 2023, The Authors. All rights reserved.

关键词： Additives

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A Lewis acid-catalyzed tandem reaction enabling 2-arylglycerol derivative as a versatile 1,3-biselectrophile for the synthesis of 4H-chromenes and 2-pyridinones

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Chinese Chemical Letters 2023年第9期34卷 147-150页

作者： Shaomin Chen Tianjian Zhang Zhenhua Xu Bo You Minghao Li Yanlong Gu Key Laboratory for Large-Format Battery Materials and System Ministry of EducationHubei Key Laboratory of Material Chemistry and Service FailureSchool of Chemistry and Chemical EngineeringHuazhong University of Science and TechnologyWuhan 430074China School of Chemistry and Chemical Engineering The Key Laboratory for Green Processing of Chemical Engineering of Xinjiang BingtuanShihezi UniversityShihezi 832004China State Key Laboratory for Oxo Synthesis and Selective Oxidation Lanzhou Institute of Chemical PhysicsLanzhou 730000China

Acid-catalyzed tandem reactions were established by employing a novel class of 2-arylglycerol derivative,5-aryl-1,3-dioxan-5-ol,as versatile 1,*** the reactions,5-aryl-1,3-dioxan-5-ol works like atropaldehydes or 2-aryl malondialdehydes,and can react with 2-naphthols andβ-keto amides,allowing the synthesis of 4H-chromenes and *** yields,good functional group tolerance,broad substrate scope and simple reaction operation make this protocol attractive.

关键词： Lewis acid catalysis 2-Arylglycerol derivative 1,3-Biselectrophile Six-membered heterocycles [3+3]cyclization

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Three dimensional porous frameworks for lithium dendrite suppression

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Journal of Energy Chemistry 2020年第5期29卷 73-89页

作者： Shuyan Ni Shuangshuang Tan Qinyou An Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina

Lithium metal is a promising anode material owing to its very low electrochemical potential and ultrahigh specific ***,the growth of lithium dendrites could result in a short lifespan,low coulombic efficiency,and potential safety hazards during the progress of lithium plating/*** factors drastically hinder its application in lithium metal *** review focuses on the use of three dimensional(3D)porous host frameworks to improve Li plating/stripping behaviors,accommodate the change in volume,and suppress or block lithium dendrite *** 3D porous frameworks,including the conductive carbon-based,metal-based,and lithiophilic inorganic-compound frameworks are introduced and summarized in *** particular functions,relative developments,and optimized strategies of various 3D porous frameworks for lithium deposition/dissolution behaviors are ***,the challenges and promising developments in the field of Li metal anodes will be discussed at the end of this review.

关键词： Lithium metal battery 3D porous frameworks Lithium dendrite Lithium sulfur batteries Lithium oxygen batteries Li plating/stripping

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Visible light triggered exfoliation of COF micro/nanomotors for efficient photocatalysis

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Green Energy & Environment 2023年第2期8卷 567-578页

作者： Kai Feng Liang Zhang Jiang Gong Jinping Qu Ran Niu Key Laboratory of Material Chemistry for Energy Conversion and Storage Ministry of EducationHubei Key Laboratory of Material Chemistry and Service FailureHubei Engineering Research Center for Biomaterials and Medical Protective MaterialsSchool of Chemistry and Chemical EngineeringHuazhong University of Science and TechnologyWuhan430074China The State Key Laboratory Breeding Base of Basic Science of Stomatology(Hubei-MOST)&Key Laboratory of Oral Biomedicine Ministry of Education School and Hospital of StomatologyWuhan UniversityWuhan 430079China National Engineering Research Center of Novel Equipment for Polymer Processing Key Laboratory of Polymer Processing EngineeringMinistry of EducationGuangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced ManufacturingSchool of Mechanical and Automotive EngineeringSouth China University of TechnologyGuangzhou510641China

We report a new facile light-induced strategy to disperse micron-sized aggregated bulk covalent organic frameworks(COFs)into isolated COFs *** was achieved by a series of metal-coordinated COFs,namely COF-909-Cu,-Co or-Fe,where for the first time the diffusio-phoretic propulsion was utilized to design COF-based micro/*** mechanism studies revealed that the metal ions decorated in the COF-909 backbone could promote the separation of electron and holes and trigger the production of sufficient ionic and reactive oxygen species under visible light *** this way,strong light-induced self-diffusiophoretic effect is achieved,resulting in good dispersion of *** them,COF-909-Fe showed the highest dispersion performance,along with a drastic decrease in particle size from 5μm to500 nm,within only 30 min light irradiation,which is inaccessible by using traditional magnetic stirring or ultrasonication *** importantly,benefiting from the outstanding dispersion efficiency,COF-909-Fe micro/nanomotors were demonstrated to be efficient in photocatalytic degradation of tetracycline,about 8 times faster than using traditional magnetic stirring *** work opens up a new avenue to prepare isolated nanosized COFs in a high-fast,simple,and green manner.

关键词： Micro/nanomotor COFs Exfoliation Nanocatalyst Photocatalysis

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Scalable Multilayered Dielectric Polymer Film Exhibiting Significantly Improved High-Temperature Energy Density

SSRN

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SSRN 2024年

作者： Li, Shuxuan Qu, Jie Wang, Jian Li, Xinhui Dai, Xingyao Jiang, Yanda Shen, Zhonghui Li, Bao-Wen Zhang, Xin State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices International School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China

Dielectric polymers, serving as crucial dielectric media in high-power-density energy storage devices, play a pivotal part in modern industries and electrical systems. However, the rapid degradation of breakdown strength and charge-discharge efficiency in elevated temperature environment imposes formidable limitations on the utilization of polymer dielectric under extreme conditions. Here, a series of polyetherimide/polysulfone alternating multilayer composite films are prepared using a non-equilibrium processing method, which effectively blocks the development of breakdown paths by the interface barriers in the multilayer structure. The deep trap sites within the interface capture the charge carriers excited at high temperatures, thus decreasing conduction loss and enhancing the efficiency and breakdown field strength of the dielectric polymer. Consequently, excellent capacitive performances including a high energy density of 5.4 J cm-3 with an efficiency exceeding 90% at 200 °C and cycle stability up to 106 cycles have been obtained. Furthermore, the multilayer polymer capacitors (MLPC) constructed from composite films also exhibit significant flexibility and thermal stability. This work provides valuable insights for the advancement of high-temperature energy storage polymers with commercial application value. © 2024, The Authors. All rights reserved.

关键词： Energy storage

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Time-domain Shielding Effectiveness of Cables Based on Metallized Aramid Fibers

Time-domain Shielding Effectiveness of Cables Based on Metal...

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2024 International Applied Computational Electromagnetics Society Symposium, ACES-China 2024

作者： Zhong, Wei Cao, Le Zhang, Tian-Yi Liu, Xu-Qing Xi'an University of Science and Technology College of Electric and Control Engineering Xi'an China Northwestern Polytechnical University State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal Materials Xi'an China

ISBN: (纸本)9798350355581

In this paper, cables with metallized coated aramid shielding materials are prepared, and the time-domain shielding effectiveness of different structures are analyzed in comparison with those of traditional shielding cables. The results show that the time-domain shielding effectiveness inside the cable with metallization-coated aramid fibers as the shielding layer can be increased by 65% compared to the cable with traditional shielding materials. The results indicate that the metallized coated aramid material has superior shielding ability, which provides more reliable technical support for its application in the field of electromagnetic compatibility and promotes the stable operation and development of electronic equipment and communication systems. © 2024 IEEE.

关键词： Cable shielding

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Ceramic Stereolithography in Investment Casting: Recent Progress and Applications 75

Ceramic Stereolithography in Investment Casting: Recent Prog...

引用

75th World Foundry Congress, WFC 2024

作者： Hu, Kehui Wang, Haoyuan Lu, Zhigang State Key Laboratory of Tribology in Advanced Equipment Tsinghua University Beijing100084 China Department of Mechanical Engineering Tsinghua University Beijing100084 China Key Laboratory of Advanced Materials Processing Technology Ministry of Education Tsinghua University Beijing100084 China State Key Laboratory of Clean and Efficient Turbomachinery Power Equipment Tsinghua University Beijing100084 China

Stereolithography-based ceramic additive manufacturing represents a promising technology for creating complex ceramic components with high precision. The technology's ability to form intricate structures and its compatibility with various ceramics make it particularly advantageous for rapid prototyping and low-volume production. This work discusses the recent progress and applications of stereolithography-based ceramic parts in the investment casting industry, particularly in the production of ceramic cores, shells, integrated core-shells, and filters, highlighting its potential to significantly accelerate production and enhance complexity. © 2024 75th World Foundry Congress, WFC 2024. All rights reserved.

关键词： Investment casting

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