材料科学最新文献

{"title":"Robust superhydrophobic polyurea composite coating with octadecyltrimethoxysilane -modified halloysite nanotubes: Hierarchical design for mechanical and chemical durability in harsh environments","authors":"Pengwei Ran ,&nbsp;Banghao Wang ,&nbsp;Fuping Dong ,&nbsp;Yuzhu Xiong ,&nbsp;Chang-Sik Ha","doi":"10.1016/j.porgcoat.2025.109539","DOIUrl":"10.1016/j.porgcoat.2025.109539","url":null,"abstract":"<div><div>A superhydrophobic composite coating with exceptional durability was fabricated by integrating octadecyltrimethoxysilane (ODTMS)-modified halloysite nanotubes (HNTs) into a polyurea (PU) matrix. The hierarchical micro-nano structure, constructed through hydrogen bonding networks between PU and HNTs, synergized with the low surface energy of ODTMS to achieve a water contact angle of 157°. Fourier-transform infrared spectroscopy, X-ray powder diffractometer and X-ray photoelectron spectroscopy analyses confirmed successful ODTMS grafting and homogeneous dispersion of HNTs within the PU matrix. Remarkably, the coating retained superhydrophobicity (contact angle &gt;150°) after 50 tape-peeling cycles and 130 cm sandpaper abrasion, attributed to the dual reinforcement mechanism of PU's elasticity and HNTs' mechanical robustness. Furthermore, the coating exhibited pH stability (pH 2–12 for 20 h) and thermal resistance up to 250 °C. This work provides a scalable strategy for designing durable superhydrophobic coatings, demonstrating potential applications in construction, ships, and electronic devices under extreme conditions.</div></div>","PeriodicalId":20834,"journal":{"name":"Progress in Organic Coatings","volume":"208 ","pages":"Article 109539"},"PeriodicalIF":6.5,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the role of Nb/Pd doping on the resistance to oxygen poisoning on the ZrCo(110) surface: A first-principles study","authors":"Xingliang Xiang ,&nbsp;Fang He ,&nbsp;Binjing Zhang ,&nbsp;Huaqin Kou ,&nbsp;Fang Wang","doi":"10.1016/j.commatsci.2025.114139","DOIUrl":"10.1016/j.commatsci.2025.114139","url":null,"abstract":"<div><div>In practice, zirconium–cobalt (ZrCo) alloys are usually poisoned by various impurity gases, resulting in severe loss of hydrogen storage performance. This study is dedicated to revealing the influence of Nb/Pd doping on oxygen poisoning resistance of ZrCo-based system on the basis of the density functional theory. Adsorption energies are employed to evaluate the adsorption performance of oxygen molecule on the ZrCo(110) surface, demonstrating that the Nb/Pd doping leads to a degraded adsorption capability. It was also discovered that the dopants are unfavorable for the oxygen atom adsorption at the hollow sites. The crystal orbital Hamilton population analysis further confirms that the doping weakens the chemical bonding between oxygen atom and adjacent atoms. In addition, the diffusion barrier for oxygen atom is determined by the climbing image nudged elastic band method. The results show that there is a higher diffusion barrier for the Pd doping for the surface migration and subsurface penetration, thereby enhancing the resistance of the alloy to oxygen poisoning. As compared, the Nb doping exhibits an opposite trend for diffusion behavior. This work is expected to offer valuable insights into the mechanism of oxygen poisoning on the ZrCo(110) surface after element doping, beneficial to the development of hydrogen storage materials for practical applications.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"259 ","pages":"Article 114139"},"PeriodicalIF":3.1,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High temperature oxygen exchange reaction on dense and porous La0.6Sr0.4CoO3-δ electrodes: An overview of the experimental evidence for modeling","authors":"Tatsuya Kawada","doi":"10.1016/j.ssi.2025.116973","DOIUrl":"10.1016/j.ssi.2025.116973","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Oxygen exchange kinetics was investigated to model the current-potential relationship of mixed conducting oxide electrodes used in SOFC and SOEC. Focusing on La&lt;sub&gt;0.6&lt;/sub&gt;Sr&lt;sub&gt;0.4&lt;/sub&gt;CoO&lt;sub&gt;3&lt;/sub&gt; as a model material, experimental evidence so far obtained in our group were summarized and reanalyzed. The reaction order analysis suggested a complex reaction mechanism, for which we came to think of two series kinetics, surface process and subsurface process. The former refers to an exchange process between gas-phase oxygen molecules and some sort of surface oxygen species. The latter refers to the exchange of surface oxygen with bulk oxide ions, and the reaction barrier is not necessarily oxygen transport, but may be electron transport/transfer for oxygen in/ex-corporation This hypothesis appeared to resolve some of our remaining questions regarding the experimental results, such as scattered &lt;em&gt;p&lt;/em&gt;&lt;sub&gt;O&lt;sub&gt;2&lt;/sub&gt;&lt;/sub&gt; dependence in high partial pressure range, the higher isotope exchange rates than electrochemical impedance, and the reaction rate enhancement in the presence of the LaSrCoO&lt;sub&gt;4&lt;/sub&gt; phase. While a single piece of such experimental evidence is insufficient to prove the hypothesis, considering all the results together provides strong support. We then tried to separate the contributions of surface and subsurface processes by measuring the surface oxygen potential using a porous oxygen sensor. 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{"title":"Modeling and optimizing visible–infrared stealth performance of ultrathin metal nanoparticles/acrylic resin composite coatings","authors":"Sainan Liu ,&nbsp;Yang Hong ,&nbsp;Xinzhi Wang ,&nbsp;Rui Ke ,&nbsp;Songtao Lu ,&nbsp;Yang Li ,&nbsp;Xiaohong Wu","doi":"10.1016/j.porgcoat.2025.109543","DOIUrl":"10.1016/j.porgcoat.2025.109543","url":null,"abstract":"<div><div>Space stealth strategy is a key means to enhance the survivability of satellites, and its core lies in the realization of multispectral compatible stealth to cope with the complex space reconnaissance environment. In this study, an ultrathin composite coating is proposed, combining metal nanoparticles (NPs) with an infrared-transparent acrylic resin (AR) matrix to achieve visible–infrared compatible stealth performance. It conducts a systematic simulation study on the visible-infrared compatible stealth performance of composite coatings. Based on the Mie scattering theory and Monte Carlo ray tracing method (MCRT), we systematically analyzed the multispectral stealth performance of 11 spherical metal NPs composite coatings (Ti, Cr, Mn, Fe, Cu, Zr, Mo, Ag, Ta, W, Au) with different NPs size (20–100 nm), volume fractions (0.5 %–5 %), and coating thicknesses (0.5–5 μm). The coating's absorption rate in the visible spectrum (380–780 nm) and emissivity in the mid-far infrared window (8–14 μm) were numerically obtained. The results show that when the Ti NPs size is optimized to 50 nm, the volume fraction is optimized to 2 %, and the coating thickness is 1.5 μm, the composite coatings can achieve high visible light absorption of 91.4 % and low infrared emissivity of 0.19. This study not only provides a data-driven strategy for designing visible–infrared compatible stealth coatings but also offers a scalable approach for multispectral optical modulation, with promising applications in stealth technology, thermal management, and solar photothermal conversion.</div></div>","PeriodicalId":20834,"journal":{"name":"Progress in Organic Coatings","volume":"208 ","pages":"Article 109543"},"PeriodicalIF":6.5,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding and design of interstitial oxygen conductors","authors":"Jun Meng","doi":"10.1016/j.commatsci.2025.114110","DOIUrl":"10.1016/j.commatsci.2025.114110","url":null,"abstract":"<div><div>Highly efficient oxygen-active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy-mediated oxygen-ion conductors have long been the focus of research, they are limited by high migration barriers at intermediate temperatures (400–600 °C), which hinder their practical applications. In contrast, interstitial oxygen conductors exhibit significantly lower migration barriers enabling higher ionic conductivity at lower temperatures. This review systematically examines both well-established and recently identified families of interstitial oxygen-ion conductors, focusing on how their unique structural motifs such as corner-sharing polyhedral frameworks, isolated polyhedral, and cage-like architectures, facilitate low migration barriers through interstitial and/or interstitialcy diffusion mechanisms. A central discussion of this review focuses on the evolution of design strategies, from targeted donor doping, element screening, to physical-intuition descriptor material screening and machine learning approach, which leverage computational tools to explore vast chemical spaces in search for new interstitial conductors. The success of these strategies demonstrates that a significant, largely unexplored space remains for discovering high-performing interstitial oxygen conductors. Crucial features enabling high-performance interstitial oxygen diffusion include the availability of electrons for oxygen reduction and sufficient structural flexibility with accessible volume for interstitial accommodation and migration. This review concludes with a forward-looking perspective, proposing a knowledge-driven methodology that integrates current understanding with data-centric approaches to identify promising interstitial oxygen conductors outside traditional search paradigms. These approaches are expected to significantly accelerate the development of high-performance interstitial oxygen conductors for a variety of oxygen-active applications, ultimately paving the way for more efficient and sustainable energy technologies.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"259 ","pages":"Article 114110"},"PeriodicalIF":3.1,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design of micro/nano multilayer structure based on fabric for radiative cooling and infrared stealth","authors":"Chaoqing Pan ,&nbsp;Li Lang ,&nbsp;Jianhua Ran ,&nbsp;Xiaoning Tang ,&nbsp;Deshan Cheng ,&nbsp;Guangming Cai ,&nbsp;Xin Wang","doi":"10.1016/j.porgcoat.2025.109544","DOIUrl":"10.1016/j.porgcoat.2025.109544","url":null,"abstract":"<div><div>Textiles with multiple functions such as cooling, infrared stealth and UV prevention are highly demanded for military applications and other scenarios. Using solution blowing technique, polyamide 66 (PA66) fibers were deposited onto a copper nanoparticles (Cu NPs) coated plain cotton fabric in this work to demonstrate radiation cooling and infrared stealth. The net radiant cooling power reached 96 W/m² in outdoor high temperature environment, as the heat accumulation on the fabric surface was reduced by the high reflectivity of the Cu-coated layer and the inherent absorption of PA66 film. The PA66/Cu NPs/cotton (PCC) fabric was 2.2 °C lower than the ambient temperature and 4 °C lower than the original cotton fabric. It was further verified that PCC fabric had excellent radiation refrigeration performance through ice melting experiment. The unique composite structure of PCC fabric presented strong scattering and absorption effects to lights, resulting in effectively reduced infrared radiation for infrared stealth. Apart from cooling human body, the PCC fabric reduced the ultraviolet radiation, playing a dual role of sunscreen and heat insulation for outdoor protective gear applications.</div></div>","PeriodicalId":20834,"journal":{"name":"Progress in Organic Coatings","volume":"208 ","pages":"Article 109544"},"PeriodicalIF":6.5,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A phase field model for coupling diffusion-deformation-fracture multi-physics in porous electrodes","authors":"Lianhua Ma ,&nbsp;Yizhou Lan ,&nbsp;Yongyi Li ,&nbsp;Biao Wang","doi":"10.1016/j.commatsci.2025.114149","DOIUrl":"10.1016/j.commatsci.2025.114149","url":null,"abstract":"<div><div>With the rapid advancements in electric vehicles and renewable energy technologies, Li-ion batteries (LIBs) play a crucial role as primary energy storage devices. However, as battery sizes increase and performance demands rise, the reliability and durability of battery components become paramount. In this investigation, a phase field model coupling diffusion-deformation-fracture multi-physics in porous electrodes is developed and implemented numerically through secondary development based on the Uer-defined element (UEL) subroutine of the commercial software ABAQUS. The model without pre-existing crack is capable of simulating efficiently the behaviors of crack initiation, propagation, and crack merging of porous electrodes coupled Li-ion diffusion-induced stress, enabling the complex crack propagation mechanism of coupling chemical and mechanical phenomena due to the presence of pores. The research findings reveal that both hydrostatic stress and the resultant concentration variations significantly influence crack propagation in porous electrodes. Concurrently, the crack width broadens with increasing crack length scale parameter. Lower critical energy release rates induce earlier crack initiation and accelerate crack propagation velocity in porous electrodes. These results contribute to a deeper understanding of the structural integrity and performance of porous electrodes in LIBs, and have implications for enhancing their reliability and performance in the design and optimization of LIBs.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"259 ","pages":"Article 114149"},"PeriodicalIF":3.1,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Hawon Choi,&nbsp;Suyong Jung and Sang Wook Lee*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"8 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsanm.5c02592","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Yilu Su,&nbsp;Zhiyuan Peng,&nbsp;En-Naji Imane,&nbsp;Peipei Liu,&nbsp;Amir Khojastehnezhad,&nbsp;Jerome Claverie and Mohamed Siaj*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"8 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsanm.5c02332","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Fuhang Kang,&nbsp;Zhenyu Wei,&nbsp;Wenbin Tang,&nbsp;Chenyu Wang,&nbsp;Huabing Wang,&nbsp;Xianlin Wang and Xiaoqiang Li*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"8 29","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.3,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsanm.5c02609","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}