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Investigation of oxygen-related defect engineering in nonstoichiometric vanadium oxides for electrochromic zinc-ion batteries with superior electrochromic-electrochemical performance

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Chemical engineering Journal 2025年 515卷

作者： Kim, Yonghan kim, Ilgyu Lee, Hye Kang Na, Hyunmin Jung, Ji-Won Yun, Tae Gwang Department of of Molecular Science and Technology Ajou University Gyeonggi Suwon16499 Korea Republic of Department of Materials Science and Engineering Konkuk University Seoul05029 Korea Republic of Advanced Materials Program Department of Materials Science and Engineering Konkuk University Seoul05029 Korea Republic of

Electrochromic-energy storage systems (e-ESS), which visualize the electrochemical charge–discharge process, are experiencing a rapid increase in demand for advanced applications. Electrochromic aqueous zinc-ion batteries (e-AZiBs) systems have emerged as a promising alternative due to their environmental friendliness, enhanced stability, and high volumetric energy density. In this study, we developed a non-stoichiometric vanadium oxide cathode that optimizes both electrochemical and electrochromic performance by controlling the oxygen defect concentration. By optimizing the annealing temperature, we effectively controlled the concentration of oxygen defects, which enhanced Zn2+ diffusion kinetics within the layered structure of V2O5 and promoted more reversible energy storage reactions. In particular, Ec-VO 350 sample, with the most favorable level of oxygen defects, exhibited a specific capacity of 383 mAh/g, representing a 160 % improvement in electrochemical performance compared to pristine V2O5. Additionally, the structural modifications induced by oxygen defects significantly improved electrochemical stability, achieving 98.27 % capacity retention after 500 cycles at 2 A/g, demonstrating excellent reversibility. Meanwhile, although the defect states generated by oxygen vacancies can affect the electronic structure and negatively influence electrochromic properties such as coloration efficiency and ΔT, Ec-VO 350 sample successfully achieved a coloration efficiency of 46.8 cm2/C and a ΔT of 65 %, owing to its enhanced Zn2+ diffusion kinetics despite a reduced optical bandgap. The methodology for developing the non-stoichiometric vanadium oxide cathode presented in this study offers an innovative strategy to enhance the potential for electrochromic energy storage systems (e-ESS) in advanced applications. © 2025

关键词： Virtual storage

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Deciphering Self-Assembly Mechanisms of IRMOF-n-Inspired Three-Dimensional Cubic-Symmetry Nanoporous Crystals from Multiscale Simulations

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Chemistry of materials 2025年第10期37卷 3799-3812页

作者： Ardila, Katherine Liu, Tsung-Wei Gómez-Gualdrón, Diego A. Pak, Alexander J. Department of Chemical and Biological Engineering Colorado School of Mines 1601 Illinois Street Golden 80401 CO United States Materials Science Program Colorado School of Mines 1601 Illinois Street Golden 80401 CO United States Quantitative Biosciences and Engineering Program Colorado School of Mines 1601 Illinois Street Golden 80401 CO United States

The formation mechanisms of metal−organic frameworks (MOFs) are not fully understood. Therefore, experimental realization of potential “breakthrough” MOFs is hindered by uncertainty in the synthesis conditions that would allow the constituent nodes and linkers to self-assemble into the targeted MOF structure. Here, a multiscale endeavor using density functional theory (DFT) calculations, followed by metadynamics with DFT-informed classical atomistic potentials, followed by standard molecular dynamics (MD) and Hamiltonian replica exchange (HREX) simulations with a metadynamics-informed, coarse-grained (CG) model, was used to study the self-assembly mechanism of cubic-symmetry porous crystals inspired by the IRMOF-n family of MOFs. Mechanistic differences were examined for different values of node-linker coordination strength─understood as the free energy penalty for breaking a coordination bond in a solvated environment. Our integrated analyses of HREX-derived free energy surfaces and standard MD trajectories indicate that at coordination strengths typical of the IRMOF-n family in dimethylformamide (DMF) (i.e., 52 kJ/mol), disassembled nodes and linkers are favored to overcome a small 1.3 kJ/mol free energy barrier to first form solid amorphous clusters, which then overcome a series of barriers (the largest of which is 3.7 kJ/mol) to heal and form ordered, more stable, cubic-symmetry crystals. This healing seems to occur through the splintering/reattaching of small clusters from/to large clusters. Our analyses also suggest that if coordination strength is moderately weakened (e.g., to 40 kJ/mol), crystals form without the preliminary formation of amorphous clusters. However, further coordination strength weakening (e.g., to 36 kJ/mol) makes the formation of sizable crystals unfavorable thermodynamically. On the other hand, strengthening the coordination would increase the free energy barrier to heal the amorphous clusters into crystals. Accordingly, if coordination b

关键词： Hamiltonians

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Cyclic thermal treatment parameters of bagasse particle reinforced epoxy bio-composites for sustainable applications

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Discover Polymers 2025年第1期2卷 1-22页

作者： Oladele, Isiaka Oluwole Falana, Samuel Olumide Ilesanmi Akinbamiyorin, Michael Onuh, Linus Nnabuike Taiwo, Anuoluwapo Samuel Adelani, Samson Oluwagbenga Olajesu, Olanrewaju Favor Department of Metallurgical and Materials Engineering Federal University of Technology Akure Nigeria Department of Materials Science and Engineering Iowa State University Ames USA Faculty of Materials and Chemical Engineering University of Miskolc Miskolc Hungary Department of School of Aerospace Transport and Manufacturing School of Aerospace Transport and Manufacturing Cranfield University Cranfield UK Materials Science and Engineering Program University of Colorado Boulder USA

The demand for sustainable, high-performance materials has led to increased interest in bio-based composites. However, optimizing the mechanical properties of such materials for engineering applications remains a challenge. This study addresses this gap by developing and characterizing an epoxy-based biocomposite reinforced with sugarcane bagasse particles, focusing on the influence of cyclic thermal treatment on its properties. The bagasse particles were chemically treated with 1 M NaOH to remove impurities, improve interfacial bonding with the epoxy matrix, and enhance the overall composite performance. The treated particles j were pulverized to 470 µm and incorporated into the epoxy matrix (0–20 wt%) using the hand layup method. The composites were divided into untreated and thermally treated groups, with the latter subjected to cyclic thermal treatment (100 °C for 3 h over 7 days). Mechanical, wear, and water absorption properties were evaluated, while fractured surface morphologies were analyzed using SEM. Results revealed that cyclic thermal treatment significantly enhanced the composites’ performance, with the 15 wt% heat-treated composite showing optimal properties: density of 1.102 g/cm3, flexural strength of 29.13 MPa, ultimate tensile strength of 103.50 MPa, impact strength of 3.49 kJ/m2, hardness of 64.70 HS, and wear indices of 0.034 mg. These findings demonstrate that alkali treatment and cyclic thermal treatment synergistically enhance the performance of bio-composites, making them suitable for diverse applications, including automotive, aerospace, and other engineering fields.

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Anomalous properties of spark plasma sintered boron nitride solids

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materials Today 2025年 86卷 42-51页

作者： Biswas, Abhijit Serles, Peter Alvarez, Gustavo A. Schimpf, Jesse Hache, Michel Kong, Jonathan Demingos, Pedro Guerra Yuan, Bo Pieshkov, Tymofii S. Li, Chenxi Puthirath, Anand B. Gao, Bin Gray, Tia Zhang, Xiang Murukeshan, Jishnu Vajtai, Robert Dai, Pengcheng Singh, Chandra Veer Howe, Jane Zou, Yu Martin, Lane W. Clancy, James Patrick Tian, Zhiting Filleter, Tobin Ajayan, Pulickel M. Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States Department of Mechanical & Industrial Engineering University of Toronto 5 King's College Road TorontoM5S 3G8 Canada Sibley School of Mechanical and Aerospace Engineering Cornell University IthacaNY14853 United States Department of Materials Science and Engineering University of California Berkeley94720 United States Department of Materials Science and Engineering University of Toronto 184 College St TorontoM5S 3E4 Canada Department of Physics and Astronomy McMaster University HamiltonL8S 4M1 Canada Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Physics and Astronomy Rice University HoustonTX77005 United States Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley94720 United States

Hexagonal boron nitride (h-BN) is a brittle ceramic with a layered structure, however, recent experiments have suggested that inter-layer structural engineering could be key to new structural and functional properties. Here we report the scalable bulk synthesis of high-density crystalline h-BN solids, by using high-temperature spark plasma sintering (SPS) of h-BN powders, which show high values of mechanical strength, ductility, dielectric constant, thermal conductivity, and exceptional neutron radiation shielding capability. Through exhaustive characterizations we reveal that SPS induces non-basal plane crystallinity, twisting of layers, and facilitates inter-grain fusion with a high degree of in-plane alignment across macroscale dimensions, resulting in near-theoretical density and improved properties. Our findings highlight the importance of material design, via new approaches such as layer twisting and interlayer interconnections, to create novel ceramics with properties that could go beyond their intrinsic limits. © 2025

关键词： Ductility

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Homochiral carbon nanotube van der Waals crystals

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science (New York, N.Y.) 2025年第6740期387卷 1310-1316页

作者： Zhang, Zhichun Chen, Yi Shen, Peiyue Chen, Jiajun Wang, Sen Wang, Bo Ma, Saiqun Lyu, Bosai Zhou, Xianliang Lou, Shuo Wu, Zhenghan Xie, Yufeng Zhang, Chengjia Wang, Liguo Xu, Kunqi Li, Haonan Wang, Guohua Watanabe, Kenji Taniguchi, Takashi Qian, Dong Jia, Jinfeng Liang, Qi Wang, Xiaoqun Yang, Wei Zhang, Guangyu Jin, Chuanhong Ouyang, Wengen Shi, Zhiwen Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education) Shanghai Jiao Tong University School of Physics and Astronomy and Tsung-Dao Lee Institute Shanghai China Department of Engineering Mechanics School of Civil Engineering Wuhan University Wuhan Hubei China State Key Laboratory of Water Resources Engineering and Management Wuhan University Wuhan Hubei China State Key Laboratory of Silicon and Advanced Semiconductor Materials School of Materials Science and Engineering Zhejiang University Hangzhou Zhejiang China Research Center for Electronic and Optical Materials National Institute for Materials Science Tsukuba Japan Research Center for Materials Nanoarchitectonics National Institute for Materials Science Tsukuba Japan Collaborative Innovation Centre of Advanced Microstructures Nanjing University Nanjing China School of Physics and Institute for Advanced Studies of Physics Zhejiang University Hangzhou Zhejiang China Beijing National Laboratory for Condensed Matter Physics Key Laboratory for Nanoscale Physics and Devices Institute of Physics Chinese Academy of Sciences Beijing China Songshan Lake Materials Laboratory Dongguan China State Key Laboratory of Micro-Nano Engineering Science Shanghai Jiao Tong University Shanghai China

For applications of single-walled carbon nanotubes (SWNTs) in integrated circuits, it is crucial to have high-tube density arrays of SWNTs that are well aligned and purely semiconducting. In this work, we report on the direct growth of close-packed SWNT arrays on hexagonal boron nitride (hBN) substrates, demonstrating high alignment and uniform chirality within each array. Molecular dynamics simulations suggest that a self-assembly growth mechanism resulted from the intertube van der Waals attraction and the ultralow sliding friction of SWNTs on the atomically flat hBN substrate. Field-effect transistors constructed from the grown SWNT array exhibit high performance at room temperature, with mobilities of up to 2000 square centimeters per volt per second, on/off ratios of ~107, and a maximum current density of ~6 milliamperes per micrometer.

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Enhanced production of microbial levulinic acid through deletion of the levulinic acid transcriptional regulator (lvaR) in engineered Pseudomonas putida KT2440

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Bioprocess and Biosystems engineering 2025年 1-14页

作者： Kim, Hyun Jin Kim, Byung Chan Lim, Gaeun Han, Yebin Jeong, Yunhee Kim, Hee Taek Jeon, Woo-Young Ahn, Jungoh Bhatia, Shashi Kant Yang, Yung-Hun Advanced Materials Program Department of Biological Engineering College of Engineering Konkuk University Seoul 05029 South Korea Department of Food Science and Technology Chungnam National University Daejeon South Korea Biotechnology Process Engineering Center Korea Research Institute Bioscience Biotechnology (KRIBB) Chungbuk South Korea Institute for Ubiquitous Information Technology and Application Konkuk University Seoul South Korea

Levulinic acid (LA) is a platform compound regarded as a promising organic intermediate for the synthesis of various chemicals such as fuel additives, plasticizers, solvents, and pharmaceuticals. Traditionally, LA is produced via acid-catalyzed dehydration and hydrolysis of lignocellulosic biomass, but this process involves challenges such as high temperatures and pressures, the use of strong acids, byproducts formation, and limitations in recovery and purification. To provide an alternative for chemical synthesis, we previously designed an integrated process to produce LA from glucose using genetically engineered Pseudomonas putida KT2440. However, as the consumption of the produced LA could not be completely prevented, its overall yield was limited. Therefore, in this study we constructed P. putida strains with additional knock-out of the lva operon genes (lvaAB, lvaE, and lvaR) in a pcaIJ knock-out strain, and introduced the aroG, asbF, and adc genes to design an LA production pathway. The pcaIJ, lvaR double knock-out strain P. putida HP205 produced 20.42 mM of LA from glycerol, and culture condition including temperature, glucose concentration, and nitrogen source were optimized. Under optimal conditions, P. putida HP205 produced 73.9 mM (8.58 g/L) LA in fed-batch fermentation. When crude glycerol was used as the substrate, both LA production and cell growth were enhanced. This study presents the impact of the LA transcriptional regulator and demonstrates a strategy for enhanced LA production in P. putida. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2025.

关键词： adc aroG asbF Levulinic acid lva operon lvaR

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Renewable energy application of pulsed laser annealing perovskite quantum dots materials

Renewable energy application of pulsed laser annealing perov...

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Nanoscale and Quantum materials: From Synthesis and Laser Processing to Applications 2025

作者： Lin, Yen-Ting Hsieh, Jui-Ting Tsai, Meng-Lin Yang, Chan-Shan Institute and Undergraduate Program of Electro-Optical Engineering National Taiwan Normal University Taipei Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei Taiwan Micro/Nano Device Inspection and Research Center National Taiwan Normal University Taiwan Applied High Entropy Technology Center National Cheng Kung University Tainan Taiwan

ISBN: (纸本)9781510684522

With the advancement of the global economy and technology, energy demand has become an urgent issue, prompting heightened attention to environmental friendliness and sustainable development. Solar energy, as a significant renewable resource, has garnered widespread attention despite facing challenges in conversion efficiency. Perovskite materials, due to their cubic crystal structure exhibiting excellent optoelectronic properties and a broad spectrum response, along with low manufacturing costs, have emerged as a recent research focus. These materials have shown remarkable potential in solar cells, light-emitting devices, and photodetectors, offering high efficiency, tunable bandgaps, and scalable fabrication processes. This study enhances the optical performance and stability of perovskite quantum dots through femtosecond pulse laser annealing technology, thereby improving their quantum yield. Advanced optical systems are employed for analysis, fully leveraging the advantages of perovskite materials in photovoltaic conversion. This research not only provides foundational solutions to pressing energy challenges but also promotes the transition of society towards cleaner and more sustainable energy technologies. Moreover, it contributes to the advancement of more efficient solar technologies, promoting innovation and development in future energy sources, and effectively reducing dependence on non-renewable energy. This is of significant importance for environmental protection, ensuring a better living environment for the future generations. © 2025 SPIE.

关键词： Nanocrystals

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Nonlinear asymmetric thermomechanical buckling of shallow nanoscale arches having dissimilar end conditions embracing nonlocality and strain gradient size dependencies

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Defence Technology 2025年 47卷 67-82页

作者： Sahmani, Saeid Kotrasova, Kamila Zareichian, Mona Sun, Jian Safaei, Babak Department of Civil Engineering School of Science and Technology The University of Georgia Tbilisi0171 Georgia Center for Advanced Materials and Structures School of Science and Technology The University of Georgia Tbilisi0171 Georgia Department of Mechanical Engineering College of Engineering 145 Anam-ro Seongbuk-gu Seoul 02841 Korea Republic of Department of Structural Mechanics Institute of Structural Engineering and Transportation Structures Faculty of Civil Engineering Technical University of Kosice Vysokoskolska 4 Kosice04200 Slovakia Yangzhou Polytechnic Institute Jiangsu Yangzhou225127 China Department of Mechanical Engineering Eastern Mediterranean University North Cyprus via Mersin 10 Famagusta Turkey UNESCO-UNISA Africa Chair in Nanosciences and Nanotechnology College of Graduate Studies University of South Africa Muckleneuk Ridge PO Box 392 Pretoria South Africa

The undercurrent research survey explores the roles of nonlocality and strain gradient size dependencies in nonlinear asymmetric buckling of shallow nanoscale arches having dissimilar end conditions through a numerical analysis. The arches, made from a functionally graded graphene nanofiller reinforced composite (FG-GNRC), are subjected to discretional radial concentrated loads along with converting of temperature. To account for the size dependencies, the exploration is carried out stemming from the nonlocal strain gradient theory (NSGT) in the sense of a quasi-2D parabolic shear flexible concept of curved beam. The material properties of the contemplated FG-GNRC sandwich are determined using the modified Halpin-Tsai micromechanics model. Subsequently, an extended isogeometric analysis (XIGA) is manipulated comprising insertion plus multiplication of knots to achieve the demanded lower continuity allocated to the integration between flexural and tangential reflexes. It is perceived that the both softening and stiffening concomitants assigned to the salient concentrated radial loads obtained by the developed NSGT-based XIGA diminish from the first upper limit to the second one, and then likewise from the first lower limit to the second one. Although, by becoming the upsurge in temperature higher, these softening and stiffening concomitants get more remarkable. © 2025 China Ordnance Society

关键词： Arches

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Graphene-functionalized textile composites for wearable Joule heating applications

Advanced Nanocomposites

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Advanced Nanocomposites 2025年 2卷 108-123页

作者： Omar Faruk Abbas Ahmed Ashfaqul Hoque Khadem Lu Jia Luyi Sun Department of Materials Science and Engineering Binghamton University State University of New York at Binghamton NY 13902 USA Polymer Program Institute of Materials Science and Department of Chemical & Biomolecular Engineering University of Connecticut Storrs CT 06269 USA Department Mechanical Engineering College of Engineering Computing and Applied Science Clemson University Clemson SC 29634 USA College of Textile Engineering Taiyuan University of Technology Jinzhong Shanxi 030600 China

Thermal comfort is essential for maintaining physiological well-being, with textile materials traditionally serving as the primary medium for regulating heat exchange between the body and its environment. However, conventional textiles often fall short of maintaining optimal thermal balance. So, there is an increasing demand for advanced thermoregulation systems that can effectively reduce heat loss and enhance warmth, ensuring consistent comfort. Recent research has highlighted the promise of advanced functional materials, especially graphene and its composites, for modifying textiles to improve thermal properties. This article comprehensively reviews recent advancements in graphene-functionalized textile composites, focusing on their applications in wearable Joule heaters designed for personalized thermal comfort or thermal therapy. Various graphene-functionalized textile composites are reviewed from the perspectives of material properties, processing strategies and device fabrication methods. Key challenges and future opportunities are summarized for graphene-functionalized textile-based Joule heaters as innovative solutions in wearable thermal regulation.

关键词： Graphene Textile Composite Wearable electronics Joule heater

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Effect of double-extrusion following by stepwise-hot-rolling on microstructures and mechanical properties of Mg-Gd-Y-Zn-Zr alloy

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Journal of Magnesium and Alloys 2025年

作者： Wang, Jinjun Khan, Muhammad Abubaker Dai, Shang Feng, Yun Wang, Han Afifi, Mohamed A. Li, Jingyuan Beijing Advanced Innovation Center for Materials Genome Engineering National Key Laboratory of Advanced Stainless Steel School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China Mechanical Engineering Program School of Engineering and Applied Sciences Nile University Giza12677 Egypt Nile University Giza12677 Egypt

Mg alloys with a combination of high strength and excellent ductility are increasingly required for structural applications. This study investigates the influence of advanced processing techniques on the mechanical properties and microstructural evolution of Mg-Gd-Y-Zn-Zr alloys. Utilizing a combination of double extrusion and stepwise hot rolling followed by aging treatments, significant enhancements in the mechanical performance of these alloys are demonstrated. The processing techniques applied lead to notable refinement in grain-size and modifications in the microstructure, including the transformation of LPSO phases from 18R to 24R and the dispersion of β phase particles. These microstructural transformations contribute to a substantial increase in yield-strength, ultimate-tensile-strength, and ductility. Furthermore, findings reveal that these improvements are also supported by alterations in material texture, which influence dislocation dynamics as indicated by changes in Kernel Average Misorientation (KAM) values. The combined effect of grain boundary (GB) strengthening, phase distribution, and texture modification elucidates the observed mechanical enhancements. This research provides valuable insights into the design and optimization of Mg-Gd-Y-Zn-Zr alloys for critical applications in aerospace and automotive industries where high strength and ductility are paramount. © 2025

关键词： Tensile strength

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