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Structure-Induced Selectivity of Hydroxylated Covalent Organic Framework Nanofibers for advanced Sensing Applications: An Experimental and Density functional Theory Study

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ACS Applied materials and Interfaces 2025年第18期17卷 27188-27203页

作者： Torad, Nagy L. Yang, Tzu-Ling Darwish, Moustafa A. Raghunath, Putikam Qurashi, Ahsanulhaq Ahmed, Lamiaa Reda Lin, Ming-Chang Yamauchi, Yusuke Yuliarto, Brian Kaveevivitchai, Watchareeya Abu Haija, Mohammad EL-Mahdy, Ahmed F. M. Department of Chemistry Khalifa University of Science and Technology Abu Dhabi United Arab Emirates Khalifa University of Science and Technology Abu Dhabi United Arab Emirates Chemistry Department Faculty of Science Tanta University Tanta31527 Egypt Department of Materials and Optoelectronic Science National Sun Yat-Sen University Kaohsiung80424 Taiwan Physics Department Faculty of Science Tanta University Al-Geish St. Tanta31527 Egypt Department of Applied Chemistry National Yang Ming Chiao Tung University Hsinchu30010 Taiwan Institute of Medical Science and Technology National Sun Yat-Sen University Kaohsiung804201 Taiwan Australian Institute for Bioengineering and Nanotechnology The University of Queensland BrisbaneQLD4072 Australia Department of Materials Process Engineering Graduate School of Engineering Nagoya University Nagoya464-8603 Japan Advanced Functional Materials Laboratory Engineering Physics Department Faculty of Industrial Technology Institut Teknologi Bandung Bandung40132 Indonesia Institut Teknologi Bandung Bandung40132 Indonesia Research Center Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan City70101 Taiwan

This study reports on the rational design of hydroxyl-functionalized covalent organic framework nanofibers (HO-COFs: PyTA-2,3-NA(OH)2 and PyTA-2,6-NA(OH)2) by a scalable solvothermal method. The resulting PyTA-2,3-NA(OH)2 HO-COF is more hydrophilic than the PyTA-2,6-NA(OH)2 HO-COF, which can effectively enhance the sensitivity of the sensor toward basic ethylenediamine (EDA). The fabricated HO-COF nanofiber-based quartz crystal microbalance sensor exhibits a rapid sensing response and a distinguished selectivity toward EDA vapor, arising from the strong hydrogen bonding interactions with the NH2 groups of EDA, as investigated by a wide variety of chemical analysis techniques and density functional theory calculations. The presence of exposed neighboring hydroxyl groups that face the same direction in the PyTA-2,3-NA(OH)2 HO-COF and the NH2 groups present in EDA exhibited efficient interactions. The PyTA-2,3-NA(OH)2 nanofiber with neighboring hydroxyl groups exhibits 1.6 times higher sensitivity to 100 ppm (ppm) EDA than PyTA-2,6-NA(OH)2 with hydroxyl groups in opposite directions, with a low limit of detection of 2.9 ppm. The PyTA-2,3-NA(OH)2 nanofiber structure has abundant active neighboring hydroxyl groups facing the same direction, making them favorable active sites for binding EDA molecules through strong hydrogen bond interactions. The color of the HO-COF changed after exposure to EDA vapor, as investigated by colorimetric assessment and naked-eye detection. These HO-COF nanofibers exhibit remarkable selectivity for EDA in the presence of other interfering chemical vapors and show high stability with only a 6.4% drop in sensitivity after 6 months. The adsorption of EDA on PyTA-2,3-NA(OH)2 nanofibers follows a pseudo-first-order kinetic model, with an adsorption rate about 8.0 times faster than PyTA-2,6-NA(OH)2 nanofibers. The findings of this study highlight the potential use of COFs, particularly those nanofibers with close neighboring hydroxyl groups, as eff

关键词： Colorimetric analysis

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Y_5Si_3C and Y_3Si_2C_2: Theoretically predicted MAX phase like damage tolerant ceramics and promising interphase materials for SiC_f/SiC composites

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Journal of materials science & technology 2019年第3期35卷 313-322页

作者： Yanchun Zhou Huimin Xiang Fu-Zhi Dai Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials & Processing Technology

Researching for interphase materials that can protect SiC fibers from oxygen and water vapor attacks has become one of the most important issues for the applications of SiC_f/SiC composites in high-temperature combustion environment. However, such kinds of interphase materials are not available yet. Herein,we report theoretically predicted properties of two promising interphase materials Y_5Si_3 C and Y_3Si_2C_*** crystallizing in different structures, they share the common features of layered structure,anisotropic chemical bonding, anisotropic electrical and mechanical properties, and low shear deformation resistance. The bulk moduli for Y_5Si_3C and Y_3Si_2C_2 are 78 and 93 GPa, respectively; while their shear moduli are 52 and 50GPa, respectively. The maximum to minimum Young's modulus ratios are1.44 for Y_5Si_3C and 3.27 for Y_3Si_2C_2. Based on the low shear deformation resistance and low Pugh's ratios(G/B = 0.666 forY_5Si_3C and 0.537 for Y_3Si_2C_2; G: shear modulus; B: bulk modulus), they are predicted as damage tolerant and soft ceramics with predicted Vickers hardness of 9.6 and 6.9 GPa, *** cleavage plane and possible slip systems are(000 l) and(0001)[1120] and(1010)[0001] forY_5Si_3C,and those for Y_3Si_2C_2 are {h00} and(010)[101]. Since the oxidation products are water-vapor resistant Y2 Si2 O7, Y2 SiO5 and/or Y_2 O_3 upon oxidation, and the volume expansions are ca 140% and ca 26% for Y_5Si_3C and Y_3Si_2C_2, they are expected to seal the interfacial cracks in SiC_f/SiC composites. The unique combination of easy cleavage, low shear deformation resistance, volume expansions upon oxidation, and the resistance of the oxidation products to water vapor attack warrant them promising as interphase materials of SiC_f/SiC composites for water-vapor laden environment applications.

关键词： Y5Si3C Y3Si2C2 Interphase material Damage tolerant ceramics Electronic structure

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Theoretical Investigation on Mechanical and Thermal Properties of a Promising Thermal Barrier Material:Yb_3Al_5O_(12)

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Journal of materials science & technology 2014年第7期30卷 631-638页

作者： Yanchun Zhou Huimin Xiang Zhihai Feng Science and Technology of Advanced Functional Composite Laboratory Aerospace Research Institute of Materials and Processing Technology

An investigation on the mechanical and thermal properties of Yb3Al5O12 is conducted by a combination of first- principles calculations and chemical bond theory calculation. Density functional theory （DFT） computations were performed for the structural, mechanical, and thermal properties, and the results are confirmed by chemical bond theory. Based on the calculated equilibrium crystal structure, heterogeneous bonding nature is revealed. The full set of elastic constants and mechanical properties of Yb3Al5O12 are presented for the first time. The thermal expansion coefficient of Yb3Al5O12 is calculated to be 7.5 × 10^-6 K-1 by chemical bond theory. In addition, the minimum thermal conductivity of Yb3Al5O12 is estimated to be 1.22 W m-t K-1, and the origin of such low thermal conductivity is discussed. Our theoretical results highlight the potential of Yb3Al5O12 as a prospective thermal barrier coating material.

关键词： Thermal barrier coating Ytterbium aluminum garnet First principles calculations Chemical bond theory

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A Polymer System with Ultra-High Molecular Potential Energy

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advanced functional materials 2025年

作者： Wang, Yan-Jie Ni, Jia-Yu Gao, Fan Cui, Chunyan Xu, Ziyang Zheng, Si Yu Sun, Hanshu He, Yang Zhao, Yiping Wu, Zi Liang Liu, Wenguang Chen, Li State Key Laboratory of Separation Membranes and Membrane Processes School of Materials Science and Engineering Tiangong University Tianjin300387 China School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional Materials Tianjin University Tianjin300350 China College of Materials Science and Engineering Zhejiang University of Technology Hangzhou310014 China Cangzhou Institute of Tiangong University Cangzhou061000 China Ministry of Education Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou310027 China

In contrast to small molecules, macromolecules exhibit distinctive characteristics due to their higher potential energy (EP). These include elevated viscosity, enhanced tensile strength, cohesiveness, and stability. The EP of macromolecules can be modulated through the design of side groups, but this approach may also alter chemical properties. This study introduces an α-methylation strategy that significantly enhances EP without modifying the structure of these side groups. This increase in EP induces a transition in the rheological behavior of polymer systems from a rubbery to a glassy state. Concurrently, it improves hygrothermal tolerance without changing dynamic bond groups. The application of this ultra-high EP strategy results in substantial enhancements in traditional acrylic adhesives: a 1500% increase in adhesion strength and a 33200% rise in adhesion modulus when exposed to hot water. Polymer is endowed with a shape memory function due to ultra-high EP. With the dual interface locking of this function, the adhesion strength can be increased by 70%. This ultra-high EP strategy provides a possible explanation for the origin of vitrification in polymeric systems. © 2025 Wiley-VCH GmbH.

关键词： Macromolecules

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advanced 3D-printed antibacterial nano 58S bioglass/AgNPs/CeO2-based scaffolds for bone tissue engineering

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Ceramics International 2025年

作者： Singh, Indrajeet Kong, Ing Viswakarma, Ashok Balani, Kantesh Advanced Polymer and Composite Materials Laboratory Department of Engineering School of Computing Engineering and Mathematical Sciences La Trobe University BendigoVIC3550 Australia Department of Materials Science and Engineering Indian Institute of Technology Kanpur208016 India Department of Mechanical Engineering Indian Institute of Technology Kanpur208016 India

58S bioglass (BG) has been considered an effective bioceramic in bone tissue engineering due to its good osteoinductive and osteoconductive properties;however, its poor antibacterial and printing properties remain a challenge in the development of ideal patient-specific, fully interconnected, bone-like scaffolds. To address this issue, this study presents novel 3D-printed BG/AgNPs/CeO2 (BGAC3D) composite scaffolds. These scaffolds exhibit a fully interconnected pore network (≈99 %) with a porosity of ≈64 % and optimally designed pore and strut sizes of 404 ± 15 μm and 394 ± 30 μm, respectively, making them suitable for bone healing applications. Adding AgNPs and ceria nanoparticles significantly increased the shear-thinning properties of Pluronic F-127/BG/AgNPs/CeO2-based ink, as compared to Pluronic F-127/BG-based ink. As a result, BGAC3D scaffold showed improved dimensional accuracy during printing relative to pristine BG. Nanoindentation studies revealed substantial increase in the mechanical properties of BGAC3D scaffolds, with elastic modulus, hardness, and compressive strength showing enhancement of 76 % (57.9 ± 8 GPa), 24 % (3.1 ± 1 GPa), and 275 % (1.5 ± 0.4 MPa), respectively. The antibacterial properties of BGAC3D scaffolds were investigated using disc diffusion and bacterial adhesion assays, which demonstrated an exceptional bactericidal efficacy of 99.3 % against Escherichia coli (E. coli) and 99.4 % against Staphylococcus aureus (S. aureus) compared to pristine BG. The cytocompatibility of the scaffolds was assessed using resazurin assays with mouse BMSCs and MTT assays with mouse fibroblasts, revealing enhanced cell viability for the BGAC3D composition compared to BG. Additionally, both BG and BGAC3D composites showed similar apatite mineralization on their surfaces, as observed under a scanning electron microscope. These findings indicate that BGAC3D scaffolds possess the necessary mechanical, antibacterial, and cytocompatibility properties, making th

关键词： Escherichia coli

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Optimal Operating Interval Demarcated by Internal Resistance Analysis for Energy-Based Sodium-Ion Batteries

SSRN

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SSRN 2025年

作者： Jiang, Hangting Ming, Hai Zhang, Songtong Zhu, Xiayu Meng, Wenjie Qiu, Jingyi Jin, Yuhong Zhang, Qianqian Key Laboratory of Advanced Functional Materials of Ministry of Education College of Materials Science and Engineering Beijing University of Technology Beijing100124 China Research Institute of Chemical Defense AMS Beijing100191 China State Key Laboratory of NBC Protection for Civilian China

Conventional full charge/discharge operation can exacerbate uncontrolled sodium (Na) plating on the hard carbon anode, resulting in degradation and reduced cycle life of sodium-ion batteries (SIBs). Thus, quantifying the optimal operating interval (OOI) of SIBs is essential for efficient energy utilization. In this study, the hybrid pulse power characterization (HPPC) method is employed to evaluate changes in both ohmic and polarization internal resistance across various states of charge (SOC) to identify the OOI and defective operating interval (DOI). The OOI not only enhances the thermal safety performance of SIBs but also actively mitigates Na plating on the hard carbon anode. As a result, SIBs operated within the OOI exhibit an extended lifespan with almost no capacity degradation over 1600 cycles at a high charge/discharge rate of 10 C. The degradation behavior of the cathode and anode, closely tied to the improved performance of OOI-optimized batteries, is investigated using in-situ monitoring techniques and post-mortem analyses. Batteries operated within the OOI show significantly reduced losses of active material and sodium, along with suppressed growth of the solid electrolyte interphase (SEI) on the anode. This improvement is attributed to the effective mitigation of Na+ accumulation at the anode interface. Consequently, the adoption of the OOI enables thermoelectric loop control within battery modules, improves energy management efficiency in fully electrified platforms, and enhances overall profitability. © 2025, The Authors. All rights reserved.

关键词： Sodium-ion batteries

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Covalent Crosslinker-Free Photo-Curing 3D Printing of Liquid Metal composite Hydrogels Based On SI-photoATRP

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Small 2025年 e2411688页

作者： Yan, Ge Zhou, Mengjie Zhang, Jun Zhang, Wenjie He, Yanjie Qiao, Xiaoguang Shi, Ge Pang, Xinchang School of Materials Science and Engineering Henan University of Science and Technology Luoyang471023 China Henan Joint International Research Laboratory of Living Polymerizations and Functional Nanomaterials Henan Key Laboratory of Advanced Nylon Materials and Application School of Materials Science and Engineering Zhengzhou University Zhengzhou450001 China College of Materials Engineering Henan International Joint Laboratory of Rare Earth Composite Materials Henan Engineering Technology Research Center for Fiber Preparation and Modification Henan University of Engineering Zhengzhou451191 China

Photocurable 3D printing (SLA or DLP) materials have garnered considerable attention due to their remarkable efficiency and precision in manufacturing. However, the presence of covalent crosslinking makes the recycling and reuse of printed materials extremely challenging. Here a novel approach to covalent crosslinker-free photo-curing 3D printing (via DLP) of liquid metal (LM) composite hydrogels is reported, leveraging surface-initiated photoinduced atom radical transfer polymerization (SI-photoATRP). The pre-synthesized PHEA-Br macroinitiators are grafted onto the surfaces of LM nanoparticles (LMNPs) by mechanical sonication, stabilizing the LMNPs within the resin solution while simultaneously generating active sites for SI-photoATRP. During the SI-photoATRP process, polymer chains of sufficient length form hydrogen bonds with multiple LMNPs, effectively transforming the LMNPs into crosslinking points. By integrating the aqueous photoATRP system catalyzed by carbon dots, LM@polymer composite hydrogel with complex structures are successfully established through DLP technology. The versatility of the 3D printed hydrogel is investigated by employing HEA, OEGA480, and AAm as the monomers in resin solution, respectively. Notably, all the LM@polymer composite hydrogels can be degraded in aqueous NaOH solution. Furthermore, LM@polymer-based networks exhibit self-repairing capabilities, serve as underwater adhesives, and conduct electricity. This work offers new insights into designing 3D printing materials and sustainable photocurable technology. © 2025 Wiley-VCH GmbH.

关键词： Crosslinking

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Correction to: Durable Fe3O4/PPy Particle Flow Spun Textile for Electromagnetic Interference Shielding and Joule Heating (advanced Fiber materials, (2025), 7, 2, (513-527), 10.1007/s42765-024-00498-2)

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advanced Fiber materials 2025年 1-1页

作者： Liu, Jiaxin Qi, Shuo Wang, Hongshan Fu, Chiyu Xu, Weilin Su, Bin Tang, Wenyang Xia, Zhigang State Key Laboratory of New Textile Materials and Advanced Processing Technologies School of Textile Science and Engineering Industry Research and Development Center of Functional Materials and Textile New Technology Textile Industry Key Laboratory of Yarn and Its Functionalization Wuhan Textile University Hubei Wuhan430200 China State Key Laboratory of Material Processing and Die and Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Hubei Wuhan430074 China National Local Joint Engineering Laboratory of Resin-Based Structure and Functional Material Technology Hubei Xiaogan432100 China

In this article the first affiliation details for Jiaxin Liu were incorrectly given as 'State Key laboratory of New Textile materials and advanced Processing Technologies, School of Textile science and Engineering, Wuhan Textile University, Wuhan, 430200, Hubei, People’s Republic of China' but should have been 'State Key laboratory of New Textile materials and advanced Processing Technologies, School of Textile science and Engineering, Industry Research and Development Center of functional materials and Textile New technology, Textile Industry Key laboratory of Yarn and Its functionalization, Wuhan Textile University, Wuhan, 430200, Hubei, People’s Republic of China'. The original article has been corrected. © Donghua University, Shanghai, China 2025.

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Spindle-shaped medium-entropy metal telluride nanostructures as high-performance dual-catalytic electrocatalysts for overall water splitting

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Journal of Colloid and Interface science 2025年 695卷 137749页

作者： He, Shufan Jiang, Tao Ye, Chengwei Wang, Wenzhong Tang, Shaochun School of Science Minzu University of China Beijing100081 China Collaborative Innovation Center of Advanced Microstructures Jiangsu Key Laboratory of Artificial Functional Materials College of Engineering and Applied Sciences Nanjing University Nanjing210023 China School of Materials Science and Engineering Beijing Institute of Technology Beijing100081 China

The development of low-cost and high-activity electrocatalysts is crucial for clean energy production and sustainable development. In particular, non-noble-metal-based medium-entropy materials (MEMs) have recently attracted considerable attention because of their excellent electrocatalytic performance and have become a new research hotspot in the field of electrocatalysis. Additionally, the fewer main elements allow MEMs to be easily recycled and synthesized, with potential industrial applications. Inspired by these advantages, spindle-shaped (Fe2CoNi)Te2 medium-entropy metal telluride (METe) nanostructures were prepared via in situ Te doping during thermal treatment of metal–organic frameworks (MOFs). The resulting spindle-shaped (Fe2CoNi)Te2 METe prepared with an optimal ratio of Fe2CoNi-MOF and the tellurium powder exhibits excellent electrocatalytic activity and stability for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), achieving low overpotentials of 155 and 263 mV at 10 mA cm−2 for the HER and OER, respectively, and outstanding stability in 60 h tests. Density functional theory calculations demonstrate that the enhanced performance of the medium-entropy (Fe2CoNi)Te2 METe nanostructures is attributed to a significant increase in the surface charge density, a substantial increase in the *H adsorption/desorption ability and a remarkable reduction in the Gibbs free energy of the rate-determining step due to the d-band center being closer to the Fermi level. This study provides a feasible strategy for achieving efficient and low-cost electrocatalysts. © 2025

关键词： Gibbs free energy

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Zeeman splitting and quantum-limit magnetoresistance anomaly in the topological insulator β-Ag2Se

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Physical Review B 2025年第8期111卷 085135-085135页

作者： Yue Zhao Lei Shi Kuan Li Huakun Zuo Gangjian Jin Zhifeng Xue Wei Zhou Dingyong Zhong Donghui Guo Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices School of Physics Sun Yat-sen University Guangzhou 510275 China School of Materials Science and Engineering State Key Laboratory of Optoelectronic Materials and Technologies Key Lab of Polymer Composite & Functional Materials Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices Sun Yat-sen University Guangzhou 510275 China Wuhan National High Magnetic Field Center and School of Physics Huazhong University of Science and Technology Wuhan 430074 China State Key Laboratory of Optoelectronic Materials and Technologies Sun Yat-sen University Guangzhou 510275 China

Topological insulators (TIs) represent a unique class of materials with significant potential for both fundamental research and future applications. The characteristic band inversion in TIs gives rise to unique properties in their bulk states. In this paper, we report exotic features of nontrivial bulk states in a TI β-Ag2Se. The investigated crystals exhibit resistivity-temperature behavior characteristic of doped semiconductors, with a band gap that aligns well with theoretical electronic structure calculations. Systematic magnetotransport measurements reveal a three-dimensional (3D) anisotropic Fermi pocket resulting from electron doping, indicating that bulk states predominantly contribute to the observed properties. Under parallel magnetic and electric fields, Zeeman splitting is observed, giving a Landé g factor of ∼10. Furthermore, we detect anomalous longitudinal magnetoresistance (MR) dips in the quantum limit when only the lowest Landau level is occupied, which are closely related to the field-induced topological phase transition and reminiscent of the forbidden backscattering in TIs due to the spinor orthogonality. These intriguing transport phenomena combined with theoretical calculations elucidate the topological nature of β-Ag2Se as a TI and offer a promising foundation for developing TI-based devices.

关键词： Topological insulators

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