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SSRN 2021年

作者： Zhang, Laiping Sun, Meng Fang, Jun-Jie Liu, Zheng Xie, Yun-Peng Lu, Xing School of Chemistry and Materials Engineering Xinxiang University Xinxiang453000 China School of Chemistry and Environmental Engineering Shanghai Institute of Technology Shanghai200235 China State Key Laboratory of Materials Processing and Die & Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan430074 China

Two crystalline silver alkynyl assemblies, namely, [Ag6(tBuC≡C)4 L1]n (1), [Ag10(tBuC≡C)6(L2)2]n (2) (H2L1 = 1,8-naphthalene dicarboxylic acid and H2L2 = 1,4-naphthalene dicarboxylic acid) have been obtained by reacting polymeric [tBuC≡CAg]n with silver salts and dicarboxylic acids under mild solvothermal conditions. Compounds 1 and 2 are coordination polymers of irregular silver alkynyl clusters. 1 is chains of cube-like silver clusters connected with L1 and tBuC≡C- ligands. In compound 2, the Ag10 clusters surrounded by six tBuC≡C- ligands are linked by silver atoms to 1D chains, which are further extended by L2 ligands to a rare 3D framework. From the topological view, the structure of 2 can be regarded as α-Po topology. The luminescence properties indicated that the two complexes display more than one peak maxima at 298 K using 335 nm excitation. © 2021, The Authors. All rights reserved.

关键词： Topology

High efficiency dual-band coding reflection metasurface in terahertz bands

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Optics Communications 2025年 587卷

作者： Chen, Ge Han, Weijia Liang, Wendong Chen, Bingxuan Zhang, Bohan Wei, Guochao Zhu, Wei Wang, Shengxiang State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile University Wuhan430200 China School of Mathematical and Physical Sciences Wuhan Textile University Wuhan430200 China School of Physical Science and Technology Northwestern Polytechnical University Xi'an710072 China

Here, we introduce a Terahertz (THz) dual-band coding reflective metasurface based on the Pancharatnam-Berry (PB) phase theory. The coding metasurface is consisted of a metal layer with hollow opening resonant ring on top of a double I-shaped deformation structure as the modified Polyimide (MPI) dielectric layer with a bottom reflective layer. It is capable of independent operation at two specific frequency bands of 0.33 THz and 0.51 THz. The high frequency double I-shaped deformation structure and the low frequency openwork resonant ring in the metal layer could be rotated and adjusted by PB phase theory to realize the continuous phase control from 0 to 2π. The coded cell at specific angles could construct coding arrays, achieving the modulation of wavefront. Due to the introduction of various encodings, the proposed metasurface enables to play a role as a vortex light generator at 0.33 THz, while it can act as a Radar Cross-section (RCS) reduction device to suppress the specular reflection of THz circularly polarized light at 0.51 THz. The simulated results show that the coding metasurface can work independently in low-frequency mode and high-frequency mode. In addition, the flexibility of the MPI layer indicates that the proposed metasurface has great potential for the integration of devices in the field of 6G communication and invisible coating. © 2025

关键词： Terahertz waves

Ambient-Air-Processed Solvent Engineering for Efficient and Stable CsPbI3 Inorganic Perovskite Solar Cells

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SSRN 2025年

作者： Gu, Yinsheng Sun, Jia Yang, Yang Liu, Chang Jiang, Jiwen Zhang, Kuanxiang Lu, Yingwei Luo, Paifeng School of Materials Science and Engineering Hefei University of Technology Anhui Hefei230009 China Engineering Research Center of High Performance Copper Alloy Materials and Processing Ministry of Education Hefei University of Technology Hefei230009 China State Key Laboratory of Advanced Glass Materials CNBM Research Institute for Advanced Glass Materials Group Co. Ltd Anhui Bengbu233090 China Triumph Photovoltaic Materials Co. Ltd. Anhui Bengbu233090 China

Inorganic CsPbI3 perovskite solar cells (PSCs), with outstanding thermal stability and appropriate optical band gap, are regarded as promising candidates for efficient single solar cells and the top sub-cell in tandem solar cells. Nevertheless, the substantial internal defect recombination and stringent preparation process conditions impede its further advancement. To obtain stable β-CsPbI3 film under open-air conditions, 1,4-phenyldimethylamine iodine (PhDMAI2) is selected as additive for the first time to prevent water erosion and regulate the intermediate phase transition during annealing. The systematic experimental results reveal that PhDMAI2 can accelerate the rate of intermediate phase conversion to β-CsPbI3 and build better energy level structure between perovskites (PVK) and hole transport layer (HTL), which effectively diminishes the quantity of pinholes and enhances the transportation and extraction of charge carriers at the interface. To further expand the application field in tandem or flexible devices, RbCl-doped SnO2 is adopted to replace the commonly used high temperature TiO2 as the electron transport layer (ETL), which not only enhances the electron transport capacity but also reduces the manufacturing temperature to below 200 ℃. Finally, the CsPbI3 PSCs with a PCE of 18.54% was achieved via a doping solvent engineering, which is one of the highest PCE values of SnO2 based CsPbI3 PSCs fabricated in ambient air. © 2025, The Authors. All rights reserved.

关键词： Cell engineering

High-Entropy Lithium Argyrodite Solid Electrolytes Enabling Stable All-Solid-state Batteries

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Angewandte Chemie 2023年第50期135卷

作者： Shenghao Li Jing Lin Mareen Schaller Sylvio Indris Xin Zhang Torsten Brezesinski Ce-Wen Nan Shuo Wang Florian Strauss Center of Smart Materials and Devices State Key Laboratory of Advanced Technology for Materials Synthesis and Processing & School of Material Science and Engineering Wuhan University of Technology Wuhan 430070 China Institute of Nanotechnology Karlsruhe Institute of Technology (KIT) Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany Institute for Applied Materials-Energy Storage Systems (IAM-ESS) Karlsruhe Institute of Technology (KIT) Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing 100084 China Foshan (Southern China) Institute for New Materials Foshan 528200 China

Superionic solid electrolytes (SEs) are essential for bulk-type solid-state battery (SSB) applications. Multicomponent SEs are recently attracting attention for their favorable charge-transport properties, however a thorough understanding of how configurational entropy (Δ S conf ) affects ionic conductivity is lacking. Here, we successfully synthesized a series of halogen-rich lithium argyrodites with the general formula Li 5.5 PS 4.5 Cl x Br 1.5- x (0≤ x ≤1.5). Using neutron powder diffraction and 31 P magic-angle spinning nuclear magnetic resonance spectroscopy, the S 2− /Cl − /Br − occupancy on the anion sublattice was quantitatively analyzed. We show that disorder positively affects Li-ion dynamics, leading to a room-temperature ionic conductivity of 22.7 mS cm −1 (9.6 mS cm −1 in cold-pressed state) for Li 5.5 PS 4.5 Cl 0.8 Br 0.7 (Δ S conf =1.98 R ). To the best of our knowledge, this is the first experimental evidence that configurational entropy of the anion sublattice correlates with ion mobility. Our results indicate the possibility of improving ionic conductivity in ceramic ion conductors by tailoring the degree of compositional complexity. Moreover, the Li 5.5 PS 4.5 Cl 0.8 Br 0.7 SE allowed for stable cycling of single-crystal LiNi 0.9 Co 0.06 Mn 0.04 O 2 (s-NCM90) composite cathodes in SSB cells, emphasizing that dual-substituted lithium argyrodites hold great promise in enabling high-performance electrochemical energy storage.

关键词： Argyrodite High-Entropy materials Solid Electrolyte Solid-state Batteries

Identifying the Impact of Fe Nanoparticles Encapsulated by Nitrogen-Doped Carbon to Fe Single Atom Sites for Boosting Oxygen Reduction Reaction Toward Zn-Air Batteries

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SSRN 2022年

作者： Niu, Wen-Jun Yan, Ying-Yun Li, Ru-Ji Zhao, Wei-Wei Chen, Jiang-Lei Liu, Ming-Jin Gu, Bingni Liu, Wen-Wu Chueh, Yu-Lun State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of Technology Lanzhou730050 China School of Materials Science and Engineering Lanzhou University of Technology Lanzhou730050 China Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan Frontier Research Center on Fundamental and Applied Sciences of Matters National Tsing Hua University Hsinchu30013 Taiwan

Herein, a proof-of-concept study on the evaluation of Fe nanoparticles (Fe NPs) encapsulated by nitrogen-doped carbon to Fe single atoms (Fe SAs) for boosting the oxygen reduction reaction (ORR) catalytic activity toward Zn-air batteries was reported. Specifically, unlike Fe SAs encapsulated by nitrogen-doped carbon (Fe SAs@NC), the Fe SAs and Fe NPs co-embedded in nitrogen-doped carbon (Fe SAs/NPs@NC) derived from a pyrolysis and acid dissolution protocols exhibits excellent ORR performance with good stability and remarkable methanol tolerance in alkaline solutions. Combining a series of experimental analyses, the strong interaction between the atomically dispersed Fe-Nx and adjacent Fe NPs in altering the electronic structure of isolated Fe-Nx sites could weaken the binding energies of the ORR intermediates on Fe SAs/NPs@NC, resulting in an enhanced electrocatalytic kinetics than Fe SAs@NC and Pt/C catalysts. This strategy not only offers a new way for synthesis highly efficient Fe-N/C catalysts toward ORR, but also provides the new insights into the understanding of the mechanism of adjacent Fe NPs encapsulated by nitrogen-doped carbon to Fe SAs sites. © 2022, The Authors. All rights reserved.

关键词： Electrocatalysts

Achieving High Strength and Large Ductility of an Ultrafine-Grained 211zx Al Alloy Processed by Improved Thermomechanical processing

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SSRN 2022年

作者： Luo, Tao Feng, Ke Lei, Lei Yang, Ming Jiang, Yun School of Materials and Metallurgy Guizhou University Guiyang550025 China School of Materials Science and Engineering Beijing Institute of Technology Beijing100081 China State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi’an710072 China School of Physics and Optoelectronic Engineering Yangtze University Jingzhou434023 China School of Mechanical Engineering Guizhou University Guiyang550025 China

Achieving high strength and large ductility simultaneously has been a long-standing goal in Al alloys. In this study, a superior combination of ultimate tensile strength (690 MPa) and elongation (10.5%) was achieved in an ultrafine-grained (UFG) 211ZX Al alloy (205 nm) processed by improved thermomechanical treatment (TMT), which consisted of cryogenic rolling plus warm rolling followed by peak ageing. Microstructural evolution from TMT processing was investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM), and high-resolution transmission electron microscopy (HRTEM). Thermodynamic analysis and the microstructural characterization confirm that pre-existing precipitates and cryogenic temperature facilitate the formation of embryo structures and re-precipitation of grain interior precipitates (GIPs) in UFG. Compared to a conventional T6 heat treatment sample, the multi-step TMT sample has similar precipitation characteristics, which contain a GP zone and θ" phase in the UFG matrix. Quantitatively strengthening model calculations reveal that the high strength of the UFG alloy is due to a combination of grain-boundary strengthening, dislocation strengthening, and precipitation strengthening. The high plasticity of the UFG material is mainly attributed to the reduction of the dislocation density caused by recovery and recrystallization during the aging process as well as the massive production of nano-GIPs. © 2022, The Authors. All rights reserved.

关键词： Ductility

Effect of crystal morphology of nickel-rich cathode materials on electrochemical stability and ion transport kinetics of sulfide-based all-solid-state batteries

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Chinese Chemical Letters 2024年

作者： Shanyan Huang Bi Luo Zixun Zhang Qi Wang Guihui Yu Xudong Bu Zheng Huang Xiaowei Wang Wei-Li Song Jiafeng Zhang Shuqiang Jiao Institute of Advanced Structure Technology Beijing Institute of Technology Beijing 100081 China National Engineering Laboratory for High Efficiency Recovery of Refractory Nonferrous Metals School of Metallurgy and Environment Central South University Changsha 410083 China State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Lanzhou University of Technology Lanzhou 730050 China State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing Beijing 100083 China

Nickel-rich layered oxides are considered highly promising cathode materials for all-solid-state batteries (ASSBs) due to their high theoretical specific capacity and energy density. In this study, a comparison between polycrystalline and single-crystalline cathode materials was conducted. It was found that, during the charging process, ion transport at the interface of polycrystalline cathodes is significantly influenced by phase transitions and side reactions with the electrolyte, resulting in an irreversible increase in impedance after cycling. Furthermore, the structural stability of the cathode material affects internal ion diffusion kinetics, thereby influencing its electrochemical performance. Unlike single-crystalline materials, ion migration in polycrystalline materials must traverse anisotropic grain boundaries, which, due to anisotropic lattice contraction, evolve into intergranular cracks, leading to reduced ion diffusion kinetics and degraded electrochemical performance. In contrast, single-crystalline cathodes exhibit more stable interfacial resistance and uniform ion transport during charging, ensuring structural stability over long-term cycling. Consequently, at a 0.5 C rate, the single-crystalline cathode maintains a specific capacity of 143 mAh/g after 500 cycles, with a capacity retention of 89.2%, while preserving its intact single-crystal morphology. This study provides valuable new insights into the localized lithium-ion transport behavior in single-crystalline and polycrystalline cathode materials for sulfide-based all-solid-state batteries.

关键词： Nickel-rich cathode Sulfide-based solid electrolytes Single-crystalline materials Ion transport kinetics Solid-state batteries

Microstructure, mechanical, and corrosion properties of extruded low-alloyed Mg–xZn–0.2Ca alloys

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International Journal of Minerals,Metallurgy and materials 2019年第10期26卷 1274-1284页

作者： Ying-zhong Ma Chang-lin Yang Yun-jin Liu Fu-song Yuan Shan-shan Liang Hong-xiang Li Ji-shan Zhang State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing100083China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Center of Digital Dentistry Peking University School and Hospital of StomatologyBeijing 100081China Second Clinical Division Peking University Hospital of StomatologyBeijing 100081China

The microstructure, mechanical, and corrosion properties of extruded low-alloyed Mg xZn 0.2Ca (x=0, 1.0, 2.0, 3.0) alloys were investigated in this study. Findings from scanning electron microscope, X-ray diffraction and transmission electron microscopy results indicate that the amount of ternary Ca2Mg6Zn3 phase, as the only secondary phase in 1.0Zn, 2.0Zn, and 3.0Zn alloys, gradually increases with the addition of Zn, while the Mg2Ca phase was observed in the Mg 0.2Ca alloy only. Zn has a strong effect on the orientation and intensity of textures, which also influence mechanical behaviors, as revealed by electron back-scatter diffraction. Among all the alloys, the Mg 2.0Zn 0.2Ca alloy obtains the maximum tensile strength (278 MPa) and yield strength (230 MPa). Moreover, Zn addition has an evident influence on the corrosion properties of Mg xZn 0.2Ca alloy, and Mg 1.0Zn 0.2Ca alloy exhibits the minimum corrosion rate. This paper provides a novel low-alloyed magnesium alloy as a potential biodegradable material.

关键词： magnesium alloy Mg Zn Ca alloy extrusion microstructure mechanical properties corrosion properties textures

Experimental study on battery thermal management performance of expanded graphite/paraffin/Si 3 N 4 composite phase change material for cylindrical 21,700 Li-ion battery

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Applied Thermal Engineering 2025年 276卷

作者： Jian Liu Songyi You Xin Ge Bihui Chen Dahai Zeng Yanfeng Li Muchao Qu Junjie Yu Kun Shan Shuaibo Zeng Kai Zhuo Xuntao Xie School of Automobile and Transportation Engineering Guangdong Polytechnic Normal University Guangzhou 510665 China Guangdong Provincial Key Laboratory for Processing and Forming of Advanced Metallic Materials South China University of Technology Guangzhou 510640 China Institute of Advanced Wear & Corrosion Resistant and Functional Materials Jinan University Guangzhou 510632 China

Phase change material (PCM)-based battery thermal management systems (BTMs) have emerged as an effective cooling solution by utilizing the latent heat absorption/release mechanism of PCMs, offering significant advantages in thermal buffering and battery lifespan extension. This study presents a novel thermally-enhanced composite phase change material (CPCM) composed of paraffin (PA), expanded graphite (EG), and silicon nitride (Si 3 N 4 ). Structural characterization through X-ray diffraction (XRD) and scanning electron microscopy (SEM) of different Si 3 N 4 mass fractions (0-15 wt%) CPCMs confirmed excellent physicochemical compatibility among all components in the prepared CPCMs. The optimal composition with 3 wt% Si 3 N 4 demonstrated superior thermal performance, making it particularly suitable for battery cooling applications. The CPCM effectively reduced thermal contact resistance when embedded in batteries, thereby significantly enhancing thermal regulation performance. Comparative experiments showed that the Si 3 N 4 -enhanced CPCM maintained the maximum temperature (T max ) at 47.6 °C with a maximum temperature differential (ΔT max ) within 3.3 °C at 3C discharge rate under 35 °C ambient conditions. Compared with natural air cooling, the T max and ΔT max decreased 30.6 % and 74.2 %, respectively. Remarkably, after six consecutive charge–discharge cycles at 3C rate, the T max still remained as low as 49.9 °C within the ideal work temperature range. These findings demonstrate that the developed CPCM exhibits outstanding potential for thermal energy storage applications, with significant implications for both academic research and industrial implementation in advanced battery thermal management systems.

关键词： Lithium-ion batteries

Interaction between dislocations and L12 precipitates in the Al0.3CoCrFeNi high-entropy alloy during nanoscratching

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Tribology International 2025年 211卷

作者： Wang, Minggang Hua, Dongpeng Li, Jincheng Jiao, Zhichao Zhu, Longhui Xie, Mingda Zhu, Yuxuan Huang, Tiange Ye, Wenting Lin, Naiming Qian, Dan Zhou, Qing Wang, Haifeng State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal Materials Northwestern Polytechnical University Shaanxi Xi'an710072 China Department of Mechanical Engineering City University of Hong Kong Kowloon Hong Kong College of Materials Science and Engineering Taiyuan University of Technology Shanxi Taiyuan030024 China State-Key Laboratory for Mechanical Behavior of Material Xi'an Jiaotong University Xi'an710049 China

The Al0.3CoCrFeNi high-entropy alloy (HEA) containing L12 precipitates (Ni₃Al) has garnered significant attention due to their exceptional mechanical properties and cost-effectiveness. While the strengthening effects of L12 precipitates on mechanical performance are well-documented, their role in tribological behavior remains underexplored. This study employs molecular dynamics (MD) simulations to systematically investigate the influence of L12 precipitates on the nanoscratching behavior of Al0.3CoCrFeNi HEA. Comparing the substrate without L12 precipitates, L12 precipitates alter dislocation dynamics, reducing total dislocation length while enhancing tribological performance. Debris atoms exhibit a more uniform morphology and reduced pile-up height, leading to a lower wear rate. In addition, increasing scratch velocity and deeper scratches all intensify dislocation-precipitate interactions, promoting residual dislocations in L12 precipitates and asymmetric debris distribution. In particular, the interaction between dislocation and L12 precipitates during nanoscratching was revealed by the well-designed shear simulation. L12 precipitate exerts a delaying effect on dislocation motion rather than a pinning effect, which can improve strength while maintaining ductility. Meanwhile, the strengthening effect of L12 precipitates exhibits an overall upward trend as the dislocation cuts through multiple times, which provides potential work hardening ability. These results elucidate the dual role of L12 precipitates in enhancing both strength and wear resistance, providing critical insights for designing high-performance HEAs. © 2025 Elsevier Ltd

关键词： Strain hardening