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Multi-functionalized sites in metalated COFs film for chemiresistive gas sensing at room temperature

Chemical Engineering Journal 2025年 514卷

作者： Mei, Aohan Zhou, Min Zhang, Wenyuan Bao, Yunan Liu, Yueli Chen, Wen State Key Laboratory of Silicate Materials for Architectures School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Wuhan Brilliant Tech Co. Ltd. Wuhan430205 China

Post-synthetic modification of covalent organic frameworks (COFs) has attracted much attention due to its simple introduction of metals and functional groups as active sites for diverse applications. However, the charge transport improvement and the functions of active sites in metalated COFs are so far ignored in gas sensors. Herein, Zn2+ is loaded on two kinds of sites on TpBpy COFs film by a simple photochemical synthesis. Zn2+ coordination improves the NH3 sensitivity by increasing the charge density and adsorption of ammonia molecules. DFT simulation and UPS result prove that the suitable adsorption configuration and work function of Zn@TpBpy COFs film play the key role for the gas sensing behavior. The as-fabricated Zn@TpBpy COFs gas sensors exhibit high sensitivity with linear response behavior and a low detection limit of 500 ppb. By comparing Zn@TpBpy with Cu@TpBpy COFs, the electron donating coordination structure from the fully occupied 3d orbital in Zn2+ boosts the response value and sensing speed, providing a novel insight into manipulating sensing behavior of metalated COFs films. © 2025 Elsevier B.V.

关键词： Chemical sensors

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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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Defects enriched hollow porous Co-N-doped carbons embedded with ultrafine CoFe/Co nanoparticles as bifunctional oxygen electrocatalyst for rechargeable flexible solid zinc-air batteries

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Nano Research 2021年第3期14卷 868-878页

作者： Zhao Lei Yangyang Tan Zeyi Zhang Wei Wu Niancai Cheng Runzhe Chen Shichun Mu Xueliang Sun College of Materials Science and Engineering Fuzhou UniversityFuzhou350108China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China Department of Mechanical and Materials Engineering The University of Western OntarioLondonONN6A 5B9Canada

The construction and design of highly efficient and inexpensive bifunctional oxygen electrocatalysts substitute for noble-metal-based catalysts is highly desirable for the development of rechargeable Zn-air battery(ZAB).In this work,a bifunctional oxygen electrocatalysts of based on ultrafine CoFe alloy(4-5 nm)dispersed in defects enriched hollow porous Co-N-doped carbons,made by annealing SiO2 coated zeolitic imidazolate framework-67(ZIF-67)encapsulated Fe *** hollow porous structure not only exposed the active sites inside ZIF-67,but also provided efficient charge and mass *** strong synergetic coupling among high-density CoFe alloys and Co-N_(x) sites in Co,N-doped carbon species ensures high oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)***-principles simulations reveal that the synergistic promotion effect between CoFe alloy and Co-N site effectively reduced the formation energy of from O^(*)to OH^(*).The optimized CoFe-Co@PNC exhibits outstanding electrocatalytic stability and activity with the overpotential of only 320 mV for OER at 10 mA·cm^(−2) and the half-wave potential of 0.887 V for ORR,outperforming that of most recent reported bifunctional electrocatalysts.A rechargeable ZAB constructed with CoFe-Co@PNC as the air cathode displays long-term cyclab.lity for over 200 h and high power density(152.8 mW·cm^(−2)).Flexible solid-state ZAB with our CoFe-Co@PNC as the air cathode possesses a high open circuit potential(OCP)up to 1.46 V as well as good bending *** universal structure design provides an attractive and instructive model for the application of nanomaterials derived from MOF in the field of sustainable flexible energy applications device.

关键词： oxygen reduction reaction ultrafine CoFe alloy hollow porous carbons zeolitic imidazolate framework-67 Zn-air battery

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Phosphate-Based Ionic Liquids for advanced Interface Modification in Perovskite Photovoltaics: Novel Insights for Ionic Liquid Molecule Design

SSRN

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SSRN 2024年

作者： Yang, Guo Wang, Fei Zhou, Chao Sun, Yonggui Wang, Taomiao Li, Qiannan Li, Yongjun Liang, Xiao Zhou, Xianfang Zhu, Quanyao Lin, Haoran Hu, Hanlin Hoffmann Institute of Advanced Materials Shenzhen Polytechnic University 7098 Liuxian Boulevard Shenzhen518055 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan China

Interface modification stands out as a crucial method to enhance the performance of perovskite solar cells. This study explores the utilization of the ionic liquid 1-Methyl-3-propylimidazolium phosphate (MPIMPH), containing phosphate (PO43-) groups, as a modifier for SnO2/perovskite interfaces. Detailed investigations delve into the specific impact of IL MPIMPH on defects in tin dioxide, perovskite defects, perovskite crystallization, morphology, and overall device performance. Initially, Density Functional Theory (DFT) is employed to evaluate the defect passivation potential of different anions on tin vacancies within the SnO2 matrix, revealing the exceptional defect passivation ability of the PO43- group. Chemical interactions between ILs MPIMPH and SnO2, as well as perovskite, are confirmed, establishing a fundamental basis for interface defect passivation. ILs-based interface modification enhances interface contact, influencing the lead iodide conversion into perovskite and perovskite crystallization, ultimately leading to the formation of high-quality perovskite thin films. ILs also effectively suppress interfacial charge recombination and optimize the energy alignment of the SnO2/perovskite interface to enhance carrier extraction. Benefiting from the interface modification with ILs, the optimized device achieved an impressive device efficiency of 24.24% with remarkable durability. This work provides an novel aspect for designing ionic liquids to enhance interface modification, contributing to upscaling and application of perovskite photovoltaics. © 2024, The Authors. All rights reserved.

关键词： Perovskite

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Tuning the dual-active sites of ZIF-67 derived porous nanomaterials for boosting oxygen catalysis and rechargeable Zn-air batteries

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Nano Research 2021年第7期14卷 2353-2362页

作者： Zeyi Zhang Yangyang Tan Tang Zeng Liyue Yu Runzhe Chen Niancai Cheng Shichun Mu Xueliang Sun College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Department of Mechanical and Materials Engineering University of Western OntarioLondonON N6A 5B9Canada

The rational control of the active site of metal-organic frameworks(MOFs)derived nanomaterials is essential to build efficient bifunctional oxygen reduction/evolution reaction(ORR/OER)***,through designing and constructing a Co_(3)O_(4)-Co heterostructure embedded in Co,N co-doped carbon polyhedra derived(Co_(3)O_(4)-Co@NC)from the in-situ compositions of ZIF-67 and cobalt nanocrystals synthesized by the strategy of in-situ NaBH4 reduction,the dual-active site(Co_(3)O_(4)-Co and Co-N_(x))is synchronously realized in a MOFs derived *** formed Co_(3)O_(4)-Co@NC shows excellent bifunctional electrocatalytic activity with ultra-small potential gap(ΔE=E_(j=10)(OER)–E_(1/2)(ORR))of 0.72 V,which surpasses the commercial Pt/C and RuO_(2) *** theory calculation results reveal that the excellent bifunctional electrocatalytic activity can be attributed to the charge redistribution of Co of Co-N_(x) induced by the synergistic effects of well-tuned active sites of Co_(3)O_(4)-Co nanoparticle and Co-N_(x),thus optimizing the rate-determining step of the desorption of O_(2)^(*)intermediate in ORR and OH^(*)intermediate in *** rechargeable Zn-air batteries with our bifunctional catalysts exhibit superior performance as well as high cycling *** simple-effective optimization strategy offers prospects for tuning the active site of MOF derived bifunctional catalyst in electrochemical energy devices.

关键词： dual-active sites bifunctional oxygen electrocatalysts metal−organic frameworks Zn-air batteries density functional theory(DFT)

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Microstructure and tribological properties of -oriented 3C-SiC by chemical vapor deposition

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Ceramics International 2025年

作者： Yang, Wenxuan Huang, Wei Li, Cuicui Wang, Chongjie Zhang, Chitengfei Tu, Rong Zhang, Song Hubei Longzhong Laboratory No.101 Luming Road Xiangyang441000 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Hubei Technology Innovation Center for Advanced Composites Wuhan430070 China

Highly -oriented 3C-SiC coatings were fabricated by chemical vapor deposition method at different temperatures. As deposition temperature increased from 1473 K to 1773 K, the surface structure of -oriented 3C-SiC transitioned from hexagonal structure with sixfold symmetry to hill-like structure, and finally to conical porous surface composed of stacked short rods. Owing to alteration of surface structure, the hardness of 3C-SiC coatings presented a trend of initially increasing and subsequently decreasing. The 3C-SiC coating deposited at 1673 K possessed the highest hardness, with a value of 42.08 GPa. The average friction coefficient for 3C-SiC/Si3N4 pair ranged from 0.258 to 0.569. The wear rate and hardness exhibited opposite trends. Compared with 3C-SiC coatings prepared at the other three temperatures, the 3C-SiC coating deposited at 1573 K exhibited the lowest wear rate under loads of 5 N, 10 N, and 15 N. Furthermore, the lowest wear rate, recorded at 15 N, was 4.1 × 10−6 mm3/Nm, attributed to high hardness and uniform grain size. The wear mechanism of -oriented 3C-SiC coatings during dry sliding primarily involved fracture, leading to fatigue and third-body wear. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Rockwell hardness

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Designing polymer nanocomposites with high energy density using machine learning

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npj Computational materials 2021年第1期7卷 999-1007页

作者： Zhong-Hui Shen Zhi-Wei Bao Xiao-Xing Cheng Bao-Wen Li Han-Xing Liu Yang Shen Long-Qing Chen Xiao-Guang Li Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhanChina International School of Materials Science and Engineering Wuhan University of TechnologyWuhanChina Hefei National Laboratory for Physical Sciences at the Microscale Department of Physics and CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics University of Science and Technology of China HefeiChina Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPAUnited States School of Materials Science and Engineering State Key Lab of New Ceramics and Fine ProcessingTsinghua UniversityBeijingChina

Addressing microstructure-property relations of polymer nanocomposites is vital for designing advanced dielectrics for electrostatic energy ***,we develop an integrated phase-field model to simulate the dielectric response,charge transport,and breakdown process of polymer ***,based on 6615 high-throughput calculation results,a machine learning strategy is schemed to evaluate the capability of energy *** find that parallel perovskite nanosheets prefer to block and then drive charges to migrate along with the interfaces in x-y plane,which could significantly improve the breakdown strength of polymer *** verify our predictions,we fabricate a polymer nanocomposite P(VDF-HFP)/Ca_(2)Nb_(3)O_(10),whose highest discharged energy density almost doubles to 35.9 J cm^(−3) compared with the pristine polymer,mainly benefit from the improved breakdown strength of 853 MVm^(−1).This work opens a horizon to exploit the great potential of 2D perovskite nanosheets for a wide range of applications of flexible dielectrics with the requirement of high voltage endurance.

关键词： polymer energy perovskite

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Improvement of Mechanical Properties and Wall Thickness Uniformity of Hollow Ceramic Spheres by Biaxial Rotation Slurry Injection technology

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Journal of Wuhan University of technology(materials Science) 2025年第3期 619-626页

作者：王秋阳周建 LIU Guizhen WANG Lin DING Zhongjun State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology National Deep Sea Center

Ceramic hollow spheres have great potential for deep-sea ***,the irregularity of the conventional molding process,among other reasons,results in low wall thickness uniformity of hollow *** solve this problem,in this work,we developed a biaxial rotation grouting process for deep-sea ceramic hollow buoyancy spheres,which improves the drawbacks of the traditional rotary grouting method that results in poor wall thickness uniformity of the hollow spheres due to its irregular rotational *** this paper,an experimental study was carried out to investigate the effects of different rotational methods,rotational speeds,rotational time,solid phase content,*** the wall thickness uniformity of ceramic hollow *** results show that the hollow floating balls prepared by the biaxial rotation method have the lowest wall thickness standard deviation (0.04) when the rotation speed is 60 rpm,the molding time is 8 min,and the solid phase content is 70 wt%.After the hydrostatic pressure test of 120 MPa,the hydrostatic compressive strength of hollow spheres prepared by the biaxial rotation method was increased by 31.67% compared with that of the traditional process.

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Gallium-based liquid metals for lithium-ion batteries

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Interdisciplinary materials 2022年第3期1卷 354-372页

作者： Bin-Wei Zhang Long Ren Yun-Xiao Wang Xun Xu Yi Du Shi-Xue Dou College of Chemistry and Chemical Engineering Chongqing UniversityChongqingChina Center of Advanced Energy Technology and Electrochemistry Chongqing UniversityChongqingChina Institute for Superconducting and Electronic Materials Australian Institute of Innovative MaterialsUniversity of WollongongNorth WollongongNew South WalesAustralia State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhanChina BUAA-UOW Joint Research Centre and School of Physics Beihang UniversityBeijingChina

Lithium-ion batteries(LIBs)are one of the most exciting inventions of the 20th century and have been widely employed in modern *** have powered many of our electronics,such as laptop computers,smartphones,and even large-scale energy storage *** the development of modern technology,next-generation LIBs with higher energy density are in demand.A number of electrode materials with high theoretical capacity,including Sn,Si,Li metal anode,and S cathode materials,have been ***,they usually suffer from structural or interface failure during cycling,limiting their practical ***-based liquid metals(LMs)possess self-healing capability,fluidity,and metallic advantages so they have been employed as self-healing skeletons or interfacial protective layers to minimize the negative impact of volume expansion or dendritic growth on the electrode ***,the features of Ga-based LMs are briefly discussed to indicate their potential for battery *** addition,recent developments on Ga-based LMs applied in LIBs have been summarized,including from the aspects of anodes,cathodes,and ***,future opportunities and challenges for the development of Ga-based LMs in LIBs are highlighted.

关键词： anode cathode electrolyte gallium-based liquid metals lithium-ion batteries

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Understanding the effect of rare-earth doping in ABO3 ferroelectrics on capacitive energy storage

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Journal of the European Ceramic Society 2025年第14期45卷

作者： Duan, Yu-Lin Wang, Jian Shen, Zhong-Hui Zhou, Meng-Jun Jiang, Jian-Yong Liu, Han-Xing Nan, Ce-Wen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices Wuhan University of Technology Wuhan430070 China School of Materials and Microelectronics Wuhan University of Technology Wuhan430070 China Wuzhen Laboratory Tongxiang314500 China School of Materials Science and Engineering State Key Lab of New Ceramics and Fine Processing Tsinghua University Beijing100084 China

Rare-earth doping, even in trace amounts, can significantly regulate the energy storage performance of ferroelectric materials by synergistically adjusting microscopic behaviors such as crystal structure and energy bands. However, understanding the mechanisms by which different rare-earth elements influence the energy storage performance such as polarization and breakdown remains a major challenge. To address this, we use density functional theory to systematically investigate the effect of rare-earth doping on the microscopic ferroelectric behavior in three ABO3 perovskite ferroelectrics by substituting A-site or B-site ions with 15 types of rare-earth ions. The results show that when introducing rare-earth ions, lattice structure and electronic state distribution can be rebuilt due to strong volume effect and hybridization, thereby altering the ion displacement polarization, reversal energy barrier, and energy gap. Notably, their effects highly depend on the occupancy of rare-earth ions on the A-site or B-site. For A-site doping, a decrease in the ionic radius of rare-earth ions generally leads to increases in the c/a ratio, polarization strength, reversal energy barrier, and energy gap, whereas B-site doping shows the opposite trends. This work reveals the underlying mechanisms of rare-earth doping on affecting the energy storage performance and provides important theoretical guidance for engineering rare-earth doping in perovskite ferroelectrics. © 2025 Elsevier Ltd

关键词： Crystal lattices

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