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Numerical Investigation and Experimental Validation of Water Condensation in the Gas Diffusion Layer with Different Properties

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SSRN 2022年

作者： Zhang, Heng Sarker, Mrittunjoy Rahman, Md Azimur Zhan, Zhigang Sui, Pang-Chieh Chuang, Po-Ya Abel Mechanical Engineering University of California Merced MercedCA95343 United States Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan528200 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei 430070 China School of Automotive Engineering Wuhan University of Technology Wuhan430070 China

Liquid water in the porous media hinders the transport of reactant to the catalyst layer, where the electrochemical reactions occur, which in turn, reduces performance and lifetime of a PEMFC. In this study, two different types of gas diffusion layer (GDL) materials are used to study the two-phase saturation distribution in a PEMFC. The correlations between the effective and anisotropic transport properties and porosity of the two GDLs are solved by the pore scale model. In addition, the anisotropic liquid water permeability and the relationship between saturation and capillary pressure is determined by using the Lattice-Boltzmann method. Fuel cell performance as well as liquid water distribution in the GDL using neutron radiography are obtained for validation. Under wet conditions, the cell with Freudenberg GDL performs better than that using Toray GDL, especially at high current densities. The results of the two-phase model simulation show that the peak water saturation for Toray GDL occurs in the catalyst layer and can reach 40%, while the peak water saturation for Freudenberg GDL occurs inside the GDL directly under the ribs and only reaches 25% saturation. The combined results provide key insights to enable high power operation of a PEMFC through GDL material optimization. © 2022, The Authors. All rights reserved.

关键词： Proton exchange membrane fuel cells (PEMFC)

Enhanced CoCrFeNi (TiC) 0.2 high-entropy alloy by thermodynamic treatment

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SSRN 2025年

作者： Liang, Shiqing Tu, Bingtian Li, Peiyao Chen, Xiaohong Li, Jiaqi Li, Jun Wei, Qinqin Shen, Qiang Hubei Longzhong Laboratory Hubei Xiangyang441000 China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China State Key Laboratory of Advanced Refractories Wuhan University of Science and Technology Wuhan430081 China

CoCrFeNi based high-entropy alloy has good strength and toughness properties compared to conventional alloys, showing great application prospects in advanced fields such as aerospace structural materials. However, the yield strength of the as-cast CoCrFeNi(TiC)0.2 alloy remains low, limiting its practical application as a high-strength structural material. In this study, we enhance the CoCrFeNi(TiC)0.2 alloy by hot rolling and annealing, which promotes the ultrafine carbide precipitation, partial recrystallization of the alloy matrix, and residual high-density dislocations. The secondphase strengthening of carbide precipitation, fine-grain strengthening of alloy matrix, and dislocation strengthening jointly improve the yield strength. The yield strength of the CoCrFeNi(TiC)0.2 alloy after thermomechanical treatment at 700°C for 1 h has a high yield strength of 865 MPa, ultimate tensile strength of 1047 MPa and uniform elongation of 6.8%. This study provides a theoretical guidance for the composition and technological design of high performance alloys. © 2025, The Authors. All rights reserved.

关键词： Tensile strength

Electrically reconfigurable heteronuclear dual-atom catalysts

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Nature nanotechnology 2025年 2025 Jun 11页

作者： Ning Han Li-Hua Chen Bao-Lian Su Department of Electrical and Computer Engineering University of Toronto Toronto Ontario Canada. State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan China. chenlihua@***. State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan China. bao-lian.su@unamur.be. Laboratory of Inorganic Materials Chemistry (CMI) University of Namur Namur Belgium. bao-lian.su@unamur.be.

Deep learning accelerating design of functionally graded materials for application in dynamic loading

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International Journal of Impact Engineering 2025年 206卷

作者： Jin Huang Jian Zhang Lei Li Ruizhi Zhang Yahui Huang Guoqiang Luo Qiang Shen State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 PR China China Academy of Engineering Physics Institute of Fluid Physics Mianyang 621000 PR China

Spallation is a fracture phenomenon induced by dynamic loading and significantly influenced by peak stress ( σ p ), strain rate ( ε ˙ ), and pulse duration ( τ ) of loading stress history. Experimental studies of spallation often encounter coupling among these parameters due to limitations in loading techniques, leading to inconsistent findings. The study introduces a novel method to independently regulate these parameters using a graded density impactor (GDI). A deep learning-based inverse design model was developed to optimize the GDI structure. Results show that the unique architecture of the GDI generates segmented rarefaction waves, enabling precise control of their intensity and arrival time at the spall plane. This allows effective adjustment of σ p , ε ˙ and τ during spallation. The inverse design model was trained with a mixed loss function and achieved outstanding predictive accuracy with an R² value exceeding 0.99. Using the trained model, tailored GDI structures were designed to achieve specific expected σ p , ε ˙ and τ . The designed GDI can cause spallation with σ p , ε ˙ and τ closely matching expected values. This machine learning-based approach offers a powerful tool for the precise design of spall experiments, advancing the study of material behavior under dynamic loading.

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One-Pot Annealing Preparation of Imidazole Ring-Doped Graphitic Carbon Nitride with Enhanced Peroxidase-Like Activity for Glucose Detection

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SSRN 2022年

作者： Gao, Xueyou Xue, Hang Zhou, Yue Chen, Yuanyuan Peng, Jian Biomedical Materials and Engineering Research Center of Hubei Province State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Department of Orthopaedics Union Hospital Tongji Medical College Huazhong University of Science andTechnology Wuhan430022 China Department of Pharmacology Medical College Wuhan University of Science and Technology Wuhan430022 China

Peroxidase-like activity of artificial enzymes has been widely used for biosensing. However, the peroxidase-like activity of artificial enzymes is far from satisfactory in contrast to natural enzymes. Herein, by imitating the structure of natural enzymes, we propose a one-pot annealing process to prepare imidazole ring-doped graphitic carbon nitride with enhanced peroxidase-like activity. By adding histidine during calcination, the graphite-phase carbon nitride doped with imidazole rings (g-C3N4-His) is obtained, which shows enhanced peroxidase-like activity by 46.5 times compared to bare g-C3N4. Furthermore, imidazole rings from g-C3N4-His make it possible to anchor Cu(II) active sites on it to produce g-C3N4-His-Cu, which show another 3 times increased peroxidase-like activity. It should be noted that the as-prepared g-C3N4-His-Cu could work in wide pH (4-9) and low temperature (5 oC). The ultrahigh peroxidase-like activity is attributed to the electronic effect of imidazole rings and active sites of Cu(II) for ·OH production. Based on the enhanced peroxidase-like activity, a H2O2 and glucose biosensor is developed with high sensitivity (limit of detection 10 nM) and selectivity. Therefore, the biosensor shows potential applications in diabetic diagnosis in clinic. © 2022, The Authors. All rights reserved.

关键词： Glucose

Intercalation Engineering of Nickle-Cobalt-Layered Double Hydroxide for Long-Lifespan Supercapacitor

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SSRN 2023年

作者： Hu, Wenxuan Chen, Lu Geng, Biao Song, Yihu Wu, Ziliang Zheng, Qiang Shan, Gurong Du, Miao MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou310058 China Zhejiang Provincial Key Lab for Chemical and Biological Processing Technology of Farm Product School of Biological and Chemical Engineering Zhejiang University of Science and Technology Hangzhou310023 China State Key Laboratory of Chemical Engineering College of Chemical and Biological Engineering Zhejiang University Hangzhou310058 China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan030000 China

Layered double hydroxides (LDHs), a class of 2D lamellar intercalating materials, is a promising candidate for high-performance supercapacitors, while its poor cycling stability has always been its Achille’s heel. Although doping metal ions into the host layer is proved to be an effective way to improve the weakness, the effects of intercalated anions on cycling performance have been rarely studied and highly underestimated. In this paper, we prepared a group of NiCo-LDHs with different intercalated anions, including NO3-, Cl-, SO42-, MoO42- and WO42-, which expand the interlayer spacing from 0.73 to 1.07 nm. Interestingly, although expanding the interlayer spacing could increase the specific capacity by providing more electrochemical active sites, it could not guarantee the improvement in cycling performance and rate capability. The correlation between interlayer spacing and cycling performance exhibits a "volcano" plot. The MoO42- intercalated NiCo-LDH with a 0.96 nm interlayer spacing delivers a high specific capacity of 795 C g-1 and the best cycling stability with 80% capacity retention after 20000 cycles, which is better than NiCo-LDH-NO3 (0.73 nm, 50% after 3000 cycles) and NiCo-LDH-WO4 (1.07 nm, 64% after 20000 cycles). By combining the results with the DFT method, the effects of intercalated anion on cycling performance are illustrated. In addition, the asymmetric supercapacitor also exhibits an excellent cycling stability with ~100% capacity retention after 10000 cycles. This study provides new insight to the compositional design of LDH-based electrodes for long-lifespan supercapacitors. © 2023, The Authors. All rights reserved.

关键词： Cobalt compounds

Interfacial co-existence of oxygen and titanium vacancies in nanostructured TiO2 for enhancement of carrier transport

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Nanoscale 2020年第15期12卷 8364-8370页

作者： Yi Lu Yi-Xuan Liu Li He Li-Ying Wang Xiao-Long Liu Jia-Wen Liu Yuan-Zhou Li Ge Tian Heng Zhao Xiao-Hang Yang Jie Liu Christoph Janiak Silvia Lenaerts Xiao-Yu Yang Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing & School of materials science and engineering Wuhan University of Technology Wuhan 430070 China. xyyang@***.

The interfacial co-existence of oxygen and metal vacancies in metal oxide semiconductors and their highly efficient carrier transport have rarely been reported. This work reports on the co-existence of oxygen and titanium vacancies at the interface between TiO and rGO via a simple two-step calcination treatment. Experimental measurements show that the oxygen and titanium vacancies are formed under 550 °C/Ar and 350 °C/air calcination conditions, respectively. These oxygen and titanium vacancies significantly enhance the transport of interfacial carriers, and thus greatly improve the photocurrent performances, the apparent quantum yield, and photocatalysis such as photocatalytic H production from water-splitting, photocatalytic CO reduction and photo-electrochemical anticorrosion of metals. A new "interfacial co-existence of oxygen and titanium vacancies" phenomenon, and its characteristics and mechanism are proposed at the atomic-/nanoscale to clarify the generation of oxygen and titanium vacancies as well as the interfacial carrier transport.

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Hypervalent Potassium Xanthate Modified Sno2 for Highly Efficient Perovskite Solar Modules

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SSRN 2022年

作者： Lu, Jianfeng Lv, Pin Yang, Yufei Li, Neng Zhang, Yuxi Hu, Min Huang, Bo Zhu, Yanqing Li, Bin Pan, Junye Wang, Shifeng Huang, Fuzhi Cheng, Yi-Bing State Key Laboratory of Silicate Materials for Architectures Wuhan University of Technology Wuhan430070 China School of Electronic and Electrical Engineering Hubei Province Engineering Research Center for Intelligent Micro-Nano Medical Equipment and Key Technologies Wuhan Textile University Wuhan430200 China Foshan Xianhu Laboratory The Advanced Energy Science and Technology Guangdong Laboratory Foshan528216 China Innovation Laboratory of Materials for Energy and Environment Technologies Institute of Oxygen Supply Tibet University Lhasa850000 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China

Tin oxide (SnO2) has been demonstrated as a promising electron transport material for high efficiency perovskite solar cells (PSCs) that made entirely via solution processing at low temperature (2|perovskite lead to a large voltage loss and performance variation. Herein, we present a facile and effective method to simultaneously reduce the interfacial defects and enhance the charge transfer via modification of SnO2 by hypervalent potassium xanthate. The presence of Lewis acidic centers of the sulfur ligands, gives rise to a strong hypervalent interactions with both Pb2+ on the perovskite and Sn4+ on the SnO2 surface, which accelerates the interfacial charge transfer and suppresses the recombination reaction. As a result, solar cells with a power conversion efficiency of 23.4% with negligible hysteresis are fabricated in light of significantly increased voltage in comparison with the relevant controls. Moreover, a stabilized efficiency of 18.8% for large-area (active area: 48.0 cm2) perovskite solar modules is achieved. The modules retain 90% of their initial performance after aging at ambient for 600 hours, which is substantially improved in comparison with the modules based on pristine SnO2 © 2022, The Authors. All rights reserved.

关键词： Perovskite solar cells

MoSe2 nanosheets as a functional host for lithium-sulfur batteries

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能源化学 2020年第8期47卷 241-247页

作者： Lishun Meng Yuan Yao Jing Liu Zhao Wang Dong Qian Liuchun Zheng Bao-Lian Su Hong-En Wang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China Beijing National Laboratory of Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China Hunan Provincial Key Laboratory of Chemical Power Resources College of Chemistry and Chemical Engineering Central South University Changsha 410083 Hunan China Institute of Chemistry Chinese Academy of Sciences Beijing 100190 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles B-5000 Namur Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China College of Physics and Electronics Information Yunnan Normal University Kunming 650500 Yunnan China

Lithium-sulfur batteries (LSBs) hold great potential for large-scale electrochemical energy storage ***,the shuttle of soluble lithium polysulfide (LiPSs) intermediates with sluggish conversion kinetics and random deposition of Li2S have severely degraded the capacity,rate and cycling performances of LSBs,preventing their practical *** this work,ultrathin MoSe2 nanosheets with active edge sites were successfully grown on both internal and external surfaces of hollow carbon spheres with mesoporous walls (MCHS).The resulting MoSe2@MCHS composite acted as a novel functional reservoir for LiPSs with high chemical affinity and effectively mediated their fast redox conversion during charge/discharge as elucidated by experimental observations and first-principles density functional theory (DFT) *** as-fabricated Li-S cells delivered high capacity,superior rate and excellent *** current work presents new insights on the delicate design and fabrication of novel functional composite electrode materials for rechargeable batteries with emerging applications.

关键词： MoSe2 Cathode host Lithium-sulfur batteries Shuttle effect Electrochemistry Density functional theory