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SSRN 2022年

作者： Liu, Yuhang Ren, Zijie Zhou, Liang Jiang, Yuqian Gao, Huimin An, Qinyou Xu, Longhua School of Resources and Environmental Engineering Wuhan University of Technology Hubei Wuhan430070 China Key Laboratory of Hubei Province for Mineral Resources Processing Environment Wuhan430070 China State Key Laboratory of Environment-friendly Energy Materials Sichuan Mianyang621010 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Southwest University of Science and Technology China

Diatomite has been widely studied as a silicon source. Three kinds of diatomite with different diatom frustules or different purities were reduced to porous silicon. The porous silicon coated carbon was prepared into positive electrode materials for battery cycle performance test. The test results showed that the Si/C composites anode material obtained by the reduction of diatomite with high purity of SiO2 has a high initial capacity, 2491mAhg-1, while that with low SiO2 purity is only 1412mAhg-1. The capacity retention rate of Si/C material prepared by columnar diatomite structure is higher than that of discoid diatomite. The battery made of high purity diatomite with discoid diatom has serious attenuation after 40 cycles. It could only retain 1/10 of the initial capacity, while the attenuation of the battery prepared by cylindrical diatomite is much better. The reason was that the specific surface area of macro porous silicon was much smaller than that of mesoporous silicon and less lithium ions were consumed in the irreversible process of forming solid electrolyte membrane for the first time. It could also be known that an appropriate amount of impurities in porous silicon can effectively reduce the volume expansion of silicon during the battery charge and discharge. The main reason was that the impurities occupied the internal space to alleviate the volume expansion of silicon or the excess carbon was coated on the impurities. © 2022, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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Local amorphization in boron carbide at finite temperature: Strategies toward improved ductility

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Physical Review B 2021年第13期104卷 134105-134105页

作者： Jun Li Qi An Lisheng Liu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Department of Chemical and Materials Engineering University of Nevada-Reno Reno Nevada 89557 USA

Boron carbide (B4C) is superhard, but its engineering applications are limited by the abnormal brittle failure arising from amorphous shear band formation. Mitigating the local amorphization is essential to improve the ductility of B4C. Here, we carried out ab initio molecular dynamics (AIMD) simulations to examine the response of B4C to shear along two plausible slip systems (001)/[100] and (111)/[112¯] at finite temperature. We found that the icosahedra of B4C gradually deconstruct at finite temperature, resulting in local amorphization, thereby giving rise to a lower stress barrier than that of density functional theory simulations at zero temperature. The deconstruction of the icosahedral clusters arises from the interaction with the neighboring chains. The failure mechanism at the finite temperature suggested that the local amorphization can be suppressed by altering the structure of the 12-atom icosahedron and the 3-atom chain of B4C. To demonstrate this, we replaced the B11CP icosahedron in B4C with B12 icosahedron to form boron-rich boron carbide (B13C2) and then performed the same shear deformations. We found that local amorphization significantly decreases, which results from the modified icosahedral interaction. We also altered the 3-atom C-B-C chain to the 2-atom P-P chain and found that the accumulated shear stress can be released through icosahedral slipping, which is achieved by breaking the chains. The icosahedral slipping then prevents the destruction of icosahedra under shear deformations, expected to improve the ductility. Our results demonstrate two design strategies toward improved ductility of B4C: (1) boron enrichment can alleviate amorphous shear band formation in boron carbide, and (2) altering the 3-atom chain to a 2-atom chain and meanwhile decreasing the strength of the chain to make it less stable than the icosahedron cage may lead to an icosahedral-slipping-dominated mechanism, thereby avoiding icosahedral fracture.

关键词： Material failure Mechanical & acoustical properties Phase transitions Shear deformation

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Gradient vertical morphology engineering enabling 18.51 % efficient all-polymer solar cells through sequential deposition strategy

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Materials Today Energy 2025年 52卷

作者： Xiaojie Ren Yi Jin Rui Hu Di Xie Xiang Huang Hairun Wen Yimeng Sun Zhixiong Huang Wenchao Huang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan 430070 China

All-polymer solar cells (all-PSCs) have broad application prospects in industrial production because of their superior stability and mechanical durability. However, poor compatibility between donor and acceptor materials, associated with disordered chain entanglement, hinders the formation of the optimal vertical morphology in the active layer. In this paper, a gradient vertical structure of donor/bulk-heterojunction (BHJ)/acceptor is developed by fabrication of PM6:PY-IT (binary) BHJ sandwiched by layers of PBQx-TCl (bottom) and PY-V-γ (top). As a result, the devices based on the structure of PBQx-TCl/PM6:PY-IT/PY-V-γ show more balanced charge mobility and reduced charge recombination, achieving a power conversion efficiency (PCE) of 18.51 %, which is significantly higher than that of the control groups: PM6:PY-IT binary (17.34 %), PBQx-TCl/PM6:PY-IT (18.01 %), and PM6:PY-IT/PY-V-γ (17.78 %). This work provides an effective and facile strategy for constructing gradient vertical morphology in the all-PSCs.

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synthesis of Cr_2AlC from Elemental Powders with Modified Pressureless Spark Plasma Sintering

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Journal of Wuhan University of technology(Materials Science) 2019年第2期34卷 287-292页

作者：葛梦妮 WANG Xiaofan LI Gaiye LU Chen 张建峰 TU Rong College of Mechanics and Materials Hohai University State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

We introduced a modified pressureless sintering strategy by SPS with a new T-shape die and tapered punches, which helps the evaporation of melted Al and reduces the sample sticking with the inner wall of the die. Thus, the die breaking risk in the sintering process or the de-molding process is avoided at all. At a low temperature and short holding time, a high purity of Cr_2 AlC was obtained in this SPS process from the optimization of different molar ratios of raw materials. Simultaneously, the high porosity of the as-obtained sample was also a distinguishing feature worth noticing. The reaction mechanism for this process was also discussed in detail. This study presented a new venue for future development of high purity "MAX" materials and others related materials by a modified pressureless sintering strategy.

关键词： pressureless spark plasma sintering Cr2AlC reaction mechanism

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A novel pH-responsive berberine-loaded attapulgite microsphere for IBD therapy via the regulation of gut immunity and flora

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International Journal of Pharmaceutics 2025年 679卷 125705页

作者： Gong, Shiwen Ma, Wentao Hu, Die Wang, Xinyu Xu, Haixing Li, Binbin Department of Pharmaceutical Engineering School of Chemistry Chemical Engineering and Life Sciences Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan 528200 China Hainan Institute Wuhan University of Technology Sanya 572000 China Biomedical Materials and Engineering Research Center of Hubei Province Wuhan University of Technology Wuhan 430070 China

Inflammatory bowel disease (IBD) is an idiopathic, lifelong, and devastating chronic inflammatory disease of the gastrointestinal tract. Berberine, an alkaloid extracted from the Chinese herb Huanglian, is a pharmaceutical ingredient with antibacterial, anti-inflammatory, and antiviral pharmacological effects in Chinese medicine. However, direct administration of berberine requires high doses due to its low bioavailability and high waste in the stomach. In this study, we prepared berberine-loaded pH-responsive Eudragit® FS 30D-attapulgite (FS-ATT) microspheres for the targeted treatment of colitis. The microspheres had pH-responsive release behavior, with minimal berberine release (about 5.97%) in simulated gastric fluid and high berberine release in simulated colonic fluid (about 69.27%). In addition, it was revealed by in vivo biological evaluations that, compared with drugs in an equivalent solution form taken orally, a significant improvement in IBD symptoms was observed after oral administration of drug-loaded FS-ATT microspheres, leading to an increase in the diversity of intestinal microbiota, inhibition of inflammatory cytokines, and enhanced therapeutic effects of berberine. The pH-responsive FS-ATT microspheres could offer a promising drug delivery platform for managing and treating many gastrointestinal diseases. © 2025 Elsevier B.V.

关键词： Attapulgite Berberine Inflammatory bowel disease pH-responsive

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Structure engineering for organic ammonium ion batteries: A controllable distribution of Cu atoms in Mn-based Prussian blue analogues

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Journal of Power Sources 2025年 653卷

作者： Haode Zhang Bingling Shang Xinlei Tang Zhiqing Wang Shan Hu Wen Chen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan 430070 China

Ammonium ion batteries (AIBs) attract extensive attention owing to the abundant resources, eco-friendly and high safety. Multivalent Prussian blue analogues (PBAs), characterized by multi-electron transfer and high operating voltage, are considered as promising cathodes for AIBs. However, their structural stability is compromised by irreversible structural evolution and metal ion dissolution. Herein, a structure engineering strategy is proposed to boost NH 4 + ion storage by regulating the distribution of Cu atoms in Mn-based PBAs. Cu atoms not only enrich on the surface to form a uniform layer but are doped inside the Mn-based PBAs. The resulting PBAs (noted as Cu x Mn 1-x HCF) with an optimal x value of 0.15, deliver a stable capacity of 110.1 mAh g −1 at 50 mA g −1 and an exceptional capacity retention of 91 % over 4000 cycles at 200 mA g −1 . Ex-situ characterizations and density functional theory (DFT) calculations reveal that the controllable distribution of Cu atoms significantly enhances the structural stability and suppresses the dissolution of Mn atoms. Notably, this strategy can be extended to other PBAs materials. We believe that this work advances the development of high-performance cathode materials for AIBs.

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Effects on the thermal expansion coefficient and dielectric properties of CLST/PTFE filled with modified glass fiber as microwave material

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Chinese Chemical Letters 2019年第5期30卷 1111-1114页

作者： Liu Zheng Jing Zhou Jie Shen Yanyuan Qi Wen Chen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology

Ceramic and polytetrafluoroethylene composites as dielectric materials have a low dielectric loss at high frequency and play an important role in the modern communication ***,room temperature phase transformation of PTFE resins,which is accompanied by a large volume change(>400 ppm/℃),seriously affects the dimensional stability and performance stability of *** LD125 modified glass fiber(GF)was introduced to the CaO-Li2 O-Sm2O3-TiO2(CLST)/PTFE composite,to reduce the thermal expansion coefficient(CTE)of the *** tri-phase composites(CLST/PTFE/GF)show the low dielectric loss and excellent *** effect of GF content on the dielectric properties and CTE was also *** CLST/PTFE filled with 5%GF exhibits the best overall performance,which is a promising microwave dielectric material for microwave communication.

关键词： Microwave communication Thermal expansion coefficient CLST PTFE Dielectric loss Dielectric constant

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Microstructure evolution and spall behavior of 2024Al alloy under ramp wave loading

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International Journal of Plasticity 2025年

作者： Peibo Li Guoqiang Luo Jianian Hu Ruizhi Zhang Di Ouyang Yu Yang Yi Sun Qiang Shen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Precision Blasting Jianghan University Wuhan 430070 China

Understanding the strain rate-dependent response of materials is essential for optimizing their design and predicting service life. In this study, both ramp wave loading (10 4 -10 5 s⁻¹) and square wave loading (10 6 s⁻¹) were achieved by controlling the projectile structure in plate impact experiments. This work particularly focuses on spall strength, precipitation behavior and damage evolution in 2024Al alloy under ramp wave loading. The results reveal that ramp loading mitigates thermal softening through gradual stress variation and reduces dislocation–atomic interactions due to its extended rise time. Compared with square wave loading, the continuous strain under ramp loading promotes vacancy generation, facilitating abnormal precipitation. These factors collectively contribute to enhanced spall strength. The spallation mechanism is dominated by dislocation–grain boundary interactions, with void nucleation and growth primarily occurring at grain boundaries. The formation of double spall surfaces is attributed to tensile stress concentrations generated by shock wave reflections at the initial spall surface. This study emphasizes the influence of shock waves on the structure and damage behavior of the 2024Al alloy.

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Enhancing Lithium Metal Battery Performance Through Reaction Center Shifting in Partially Fluorinated Electrolytes with Localized High Anion Concentration

SSRN

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SSRN 2023年

作者： Yang, Tong Zhang, Wenna Shen, Chunli Ren, Long Liao, Xiaobin Guo, Yaqing Zhao, Yan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Science and Technology Wuhan430070 China The Institute of Technological Sciences Wuhan University Wuhan Hubei430072 China College of Materials Science and Engineering Sichuan University Chengdu610065 China Wuhan University China College of Chemistry and Materials Engineering Wenzhou University Wenzhou325035 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

The design of a compatible electrolyte is crucial for achieving long-lifespan in lithium-metal batteries (LMBs). In this study, we report on a partially fluorinated electrolyte characterized by a weak solvation interaction of Li+ and a localized high anion concentration in the first solvation shell. This unique solvation structure shifts the reaction centers from solvent molecules to anions, enabling the predominant participation of anions in the formation of a LiF-rich solid-electrolyte interphase (SEI). Electrochemical experiments demonstrate efficient Li+ transfer kinetics, reduced Li nucleation overpotential polarization (28 mV), and extended cycling life in Li||Li cells using the partially fluorinated electrolyte. When tested in Li||NCM811 cells, the designed electrolyte delivers a capacity retention of 89.30% and exhibits a high average Coulombic efficiency of 99.80% over 100 cycles with a charge-potential cut-off of 4.6 V vs. Li/Li+ under the current density of 0.4 C. Furthermore, even at a current density of 1C, the cells maintain 81.90% capacity retention and a high average Coulombic efficiency of 99.40% after 180 cycles. This work underscores the significance of weak-solvation interaction in partially fluorinated electrolytes and highlights the crucial role of solvent structure in enabling the long-term stability and high-energy density of LMBs. © 2023, The Authors. All rights reserved.

关键词： Density functional theory

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A novel thermometric performance of Dy 3+ doped phosphor: fluorescence lifetime of grain boundary-doped MgAlON:Dy 3+ transparent ceramics

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Journal of Rare Earths 2025年

作者： Zhengyang Jing Bowen Chen Hao Wang Pan Gao Guangsheng Tu Bingtian Tu Weimin Wang Zhengyi Fu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Hubei Longzhong Laboratory Xiangyang 441000 China

The energy transfer (ET) between f-f transition is achieved by rare earth ions (RE 3+ ) doped grain boundaries of transparent ceramics, which enhances the fluorescence thermometry performance and enables multiple fluorescence thermometry modes of transparent ceramics. In this work, MgAlON:Dy 3+ transparent ceramics were prepared and segregation of Dy 3+ in grain boundaries was realized. With excellent absolute and relative sensitivities (2.447 μs/K and 2.09%/K), the fluorescence lifetime (FL) signals of MgAlON:Dy 3+ exceeds most of RE 3+ doped phosphors. The ET between closely segregated Dy 3+ in grain boundaries modifies the distribution of electron on 4 I 15/2 level, and induces temperature-dependent FL to the phosphors. This work reveals the influence of grain boundary segregation on ET between Dy 3+ for improving the fluorescence thermometry performance of phosphors.

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