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Computation- and process-based design for advanced structural high-entropy alloy development and analyses: A critical review 先进结构高熵合金开发与分析的基于计算和过程的设计综述
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-09 DOI: 10.1016/j.pmatsci.2025.101534
Zaigham Saeed Toor , Renhao Wu , Muhammad Raihan Hashmi , Jeong Ah Lee , Xiaoqing Li , Harada Yuji , Haiming Zhang , Hyoung Seop Kim
Over the past decades, high-entropy alloys (HEAs) have been rapidly designed, developed, prepared, and tested to achieve superior performance across a multitude of applications. Computational materials science driven design techniques, including molecular dynamics, density functional theory, calculation of phase diagrams, phase-field modeling, crystal plasticity modelling, and artificial intelligence, combined with additive manufacturing and severe plastic deformation, present unprecedented opportunities to tailor microstructural features with remarkable flexibility and feasibility. This integration significantly enhances material properties. This review paper focuses on the computation-driven and processing-guided designs for structural HEAs (SHEAs), focusing on the relationship among materials, processing, microstructures, and properties. A succinct introduction to the computational design of SHEAs is first presented. Following this, we delve into the complex interplay between computational microstructures at various scales and the mechanical properties of SHEAs, revealing the underlying mechanisms. Additionally, we explore the distinctive features, advantages, and practical applications of these promising materials have been further explored. In conclusion, we address the prevailing challenges and anticipate future prospects in this burgeoning field.
在过去的几十年里,高熵合金(HEAs)被迅速设计、开发、制备和测试,在众多应用中实现了卓越的性能。计算材料科学驱动的设计技术,包括分子动力学、密度泛函理论、相图计算、相场建模、晶体塑性建模和人工智能,结合增材制造和严重塑性变形,为定制微结构特征提供了前所未有的机会,具有显著的灵活性和可行性。这种集成显著提高了材料的性能。本文从材料、工艺、微观结构和性能之间的关系等方面综述了计算驱动和加工导向的结构HEAs设计方法。首先简要介绍了SHEAs的计算设计。在此之后,我们深入研究了不同尺度的计算微观结构与SHEAs力学性能之间的复杂相互作用,揭示了潜在的机制。此外,我们还探讨了这些有发展前景的材料的特点、优势和实际应用。总之,我们解决了当前的挑战,并展望了这一新兴领域的未来前景。
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引用次数: 0
Smart micro/nanorobots for drug delivery in the brain 用于大脑药物输送的智能微/纳米机器人
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-06 DOI: 10.1016/j.pmatsci.2025.101533
Di Shi , Xiang Wang , Yulin Deng , Huaijuan Zhou , Yilong Wang , Paul K. Chu , Jinhua Li
Pharmacotherapy is the core approach for treating various brain diseases. However, the intricate anatomical structure and the blood–brain barrier (BBB) of the brain present challenges for intracerebral drug delivery and therapeutic efficacy. Although systemic administration and surgical interventions can alleviate symptoms, they are limited by low therapeutic effects and potential adverse side effects. Moreover, due to their complex pathogenesis, insidious development, and deep-seated lesions, brain diseases are difficult to diagnose accurately. To address these challenges, there is an urgent need to develop intelligent nanocarriers that can efficiently load drugs and penetrate the BBB for precise therapy of brain diseases. In this connection, micro/nanorobots (MNRs) are multifunctional drug carriers at the micro-nano scale, which possess exceptional penetration and targeting capabilities. Employing externally powered propulsion or chemical self-propulsion, MNRs can navigate in the brain and cross the BBB. This review comprehensively summarizes the recent advances and future outlook of smart MNR drug delivery systems for brain disease treatment. It covers broad topics from nanocarriers to active smart MNRs. Furthermore, it elucidates the therapeutic mechanisms of these smart MNR drug delivery systems in brain diseases based on pathogenesis and pathology. Our aim is to provide a reference for designing and developing novel smart MNRs for drug delivery in the brain, paving the way for their clinical applications in treating brain diseases.
药物治疗是治疗各种脑部疾病的核心方法。然而,大脑复杂的解剖结构和血脑屏障(BBB)对脑内药物传递和治疗效果提出了挑战。虽然全身给药和手术干预可以缓解症状,但由于治疗效果低和潜在的不良副作用,它们受到限制。此外,由于其发病机制复杂、发展隐匿、病灶深,脑部疾病难以准确诊断。为了解决这些挑战,迫切需要开发能够有效装载药物并穿透血脑屏障的智能纳米载体,以精确治疗脑部疾病。在这方面,微/纳米机器人(MNRs)是微纳米尺度上的多功能药物载体,具有卓越的渗透和靶向能力。利用外部动力推进或化学自我推进,磁磁共振可以在大脑中导航并穿过血脑屏障。本文综述了脑疾病治疗中智能MNR给药系统的最新进展及未来展望。它涵盖了从纳米载体到主动智能磁阻的广泛主题。此外,从发病机制和病理角度阐明了这些智能MNR给药系统在脑部疾病中的治疗机制。我们的目的是为设计和开发新型脑内药物传递智能核磁共振提供参考,为其在脑疾病治疗中的临床应用铺平道路。
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引用次数: 0
Stimuli-responsive shape-morphing soft actuators: metrics, materials, mechanism, design and applications 刺激响应变形软致动器:指标,材料,机制,设计和应用
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-05 DOI: 10.1016/j.pmatsci.2025.101531
Linchao Sun , Zhong Li , Yan Zhang , Yao Lu , Shiguo Zhang
The rapid development of flexible wearable devices and the integration of artificial intelligence (AI) in robotics have driven the evolution of soft actuators, positioning soft shape-morphing actuators at the forefront of cutting-edge research in soft robotics, intelligent devices, and bio-inspired engineering. Stimuli-responsive soft actuators are intelligent devices constructed from flexible materials capable of precise and controllable deformation in response to external stimuli, attracting growing scientific and technological interest. This review systematically delineates and evaluates critical performance metrics essential for evaluating actuator functionality. It offers a comprehensive analysis of the predominant stimuli-responsive actuating materials, elucidating their actuation mechanisms while critically examining their inherent advantages, limitations, and emerging research trajectories. Fundamental design principles are meticulously articulated to guide the development of next-generation shape-morphing actuators. Furthermore, this review extensively surveys diverse practical applications, underscoring the versatility and broad technological impact of stimuli-responsive soft actuators across multiple domains. Finally, key challenges in the current state-of-the-art and prospective research pathways are thoroughly discussed, aiming to foster the development and widespread adoption of soft actuators in both academic research and industrial applications.
柔性可穿戴设备的快速发展和人工智能(AI)在机器人技术中的融合推动了软执行器的发展,将软变形执行器定位在软机器人、智能设备和仿生工程的前沿研究前沿。刺激响应软致动器是由柔性材料构成的智能装置,能够对外部刺激做出精确和可控的变形,引起了越来越多的科学和技术兴趣。这篇综述系统地描述和评估了评估执行机构功能所必需的关键性能指标。它提供了主要的刺激响应致动材料的全面分析,阐明了它们的致动机制,同时严格检查其固有的优势,局限性和新兴的研究轨迹。基本的设计原则是精心阐述,以指导下一代变形致动器的发展。此外,本综述广泛调查了各种实际应用,强调了刺激响应式软执行器在多个领域的多功能性和广泛的技术影响。最后,深入讨论了当前最先进和未来研究路径中的关键挑战,旨在促进软执行器在学术研究和工业应用中的发展和广泛采用。
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引用次数: 0
Bioinspired multifunctional antifogging surfaces: Progress, AI design and challenges 仿生多功能防雾表面:进展、人工智能设计和挑战
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-02 DOI: 10.1016/j.pmatsci.2025.101530
Hanpeng Gao , Zetian Xing , Siyu Chang , Fangyi Zhao , Honglin Zhang , Zong Meng , Zhiwu Han , Yan Liu
Over the past few decades, various antifogging strategies and preparation methods have been proposed. Unfortunately, a surface with a single antifogging function cannot achieve a wide range of practical applications. For example, medical endoscopes require antifogging and antibacterial capabilities to improve diagnostic accuracy and safety. Inspired by the near-perfect multifunctional properties of natural creatures, antifogging materials with specific functions have drawn more and more attention owing to their promising and wide applications. However, the design of bioinspired antifogging surfaces with broad applicability still presents some challenges, such as the integration of multifunctional properties, and the optimization of preparation routes. In this review, beginning with the fogging mechanism and wettability theory, the latest antifogging surface materials and pattern designs are analyzed in detail and critically evaluated. The natural biomaterials with multifunctional characteristics are summarized, and the integration mechanism and design difficulties of the four multifunctional characteristics are then emphatically analyzed. Based on artificial intelligence (AI) assisted design optimization, we introduce the neural network into the bionic multifunction antifogging path realization for the first time and summarize the antifogging prototype and antifogging multifunction database. Finally, the challenges and future trends of bioinspired multifunction antifogging surfaces (MF-AFS) are presented.
在过去的几十年里,人们提出了各种防雾策略和制备方法。遗憾的是,具有单一防雾功能的表面无法实现广泛的实际应用。例如,医疗内窥镜需要防雾和抗菌功能,以提高诊断的准确性和安全性。受自然生物近乎完美的多功能特性的启发,具有特定功能的防雾材料因其广阔的应用前景而越来越受到人们的关注。然而,具有广泛适用性的仿生防雾表面的设计仍然面临着一些挑战,如多功能特性的整合和制备路线的优化。本文从起雾机理和润湿性理论出发,详细分析了最新的防雾表面材料和图案设计,并对其进行了批判性评价。综述了具有多功能特性的天然生物材料,重点分析了四种多功能特性的集成机理和设计难点。基于人工智能辅助设计优化,首次将神经网络引入到仿生多功能防雾路径实现中,总结了防雾原型和防雾多功能数据库。最后,提出了生物多功能防雾表面(MF-AFS)的挑战和未来发展趋势。
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引用次数: 0
Flame-retardant strategies for lignocellulose: recent progress and prospect 木质纤维素阻燃策略:最新进展与展望
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-28 DOI: 10.1016/j.pmatsci.2025.101529
Huayu Liu , Yeling Zhu , Yuhang Ye , Isabella Therrien , Felix Wiesner , Feng Jiang
Lignocellulose offers significant promise as a renewable and environmentally sustainable material for construction, while its inherent combustibility poses a major challenge to its widespread application, especially in fire-sensitive environments. In this review, the combustion behavior of lignocellulose and the key mechanisms underlying its flame-retardant strategies are examined. Various classes of flame retardants (FRs), categorized based on the functional elements, are discussed in terms of their flame-retardant mechanisms and interactions with lignocellulosic substrates. Emerging approaches that integrate FRs are explored and compared, with a focus on enhancing flame resistance while minimizing their adverse effects on material properties. Finally, the review concludes with an outlook on current challenges and future research directions, shedding the light to develop more effective, durable, and sustainable flame-retardant solutions for lignocellulose-based materials.
木质纤维素作为一种可再生和环境可持续发展的建筑材料具有重要的前景,但其固有的可燃性对其广泛应用构成了重大挑战,特别是在火灾敏感的环境中。本文综述了木质纤维素的燃烧行为及其阻燃策略的关键机理。根据功能元素分类的各种阻燃剂(FRs),讨论了它们的阻燃机理和与木质纤维素基质的相互作用。探索和比较了整合FRs的新兴方法,重点是提高阻燃性,同时最大限度地减少其对材料性能的不利影响。最后,对当前面临的挑战和未来的研究方向进行了展望,为开发更有效、耐用和可持续的木质纤维素基材料阻燃解决方案提供了启示。
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引用次数: 0
Triptycene-based porous organic network polymers: From synthesis to applications 三苯基多孔有机网状聚合物:从合成到应用
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-26 DOI: 10.1016/j.pmatsci.2025.101528
Akhtar Alam, Atikur Hassan, Neeladri Das
Triptycene, a member of a distinct class of aromatic compounds called iptycenes, has garnered significant attention across various research domains. In recent years, triptycene and its derivatives have emerged as valuable and efficient building blocks for the design and synthesis of novel porous materials with tailored structures and properties. Porous organic polymers (POPs) based on triptycene are organic macromolecules regarded as emerging materials because of their high carbon content, high specific surface area, tunable porosity, low density, high chemical and thermal stability and variable composition. Triptycene-based POPs have demonstrated their competitiveness in various applications, including but not limited to gas storage and separation, water treatment, and catalysis applications. This review comprehensively summarizes recent research on triptycene-based porous organic polymers in materials chemistry.
三甲烯是一类独特的芳香族化合物,在各个研究领域引起了极大的关注。近年来,三甲烯及其衍生物已成为设计和合成具有定制结构和性能的新型多孔材料的有价值和有效的基石。基于三甲烯的多孔有机聚合物(POPs)具有高碳含量、高比表面积、孔隙度可调、低密度、高化学稳定性和热稳定性以及组成多变等特点,是一种新兴的有机高分子材料。基于三叶草烯的持久性有机污染物在各种应用中显示出其竞争力,包括但不限于气体储存和分离、水处理和催化应用。本文综述了近年来在材料化学领域中三甲烯基多孔有机聚合物的研究进展。
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引用次数: 0
Dynamic bioinks for tissue/organ bioprinting: Principle, challenge, and perspective 用于组织/器官生物打印的动态生物墨水:原理、挑战和前景
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-20 DOI: 10.1016/j.pmatsci.2025.101527
Duo Ma , Juan Liu , William Weijia Lu , Wenguang Liu , Changshun Ruan
Bioprinting that can quickly generate custom-shaped organ-like constructs opens up a new horizon for tissue engineering and regenerative medicine. The importance of bioinks cannot be overemphasized in advancing bioprinting development. Superior to conventional static bioink, dynamic bioink, mimicking the natural extracellular matrix, possesses reversible dynamic molecular networks that provide cellular activity and growth and thus enhance the maturation of bioprinted organ-like constructs, which has gained lots of attention and developed rapidly in the past decade. This paper completely summarizes the progress of dynamic bioink in bioprinting. First, we outline the molecular design principle of dynamic bioinks, involving two main patterns: supramolecular force and reversible chemical bonding. Then, key factors of dynamic bioinks in advancing bioprinting, including printability, structural stability, and modulation of cell behavior, are highlighted. Finally, the review further discusses the challenges and perspectives in fabricating tissues and organs with dynamic bioinks, aiming to offer an illuminating insight into bioprinting.
生物打印可以快速生成定制形状的类器官结构,为组织工程和再生医学开辟了新的视野。生物油墨在推动生物打印发展方面的重要性再怎么强调也不为过。与传统的静态生物链接相比,动态生物链接具有可逆性的动态分子网络,模拟天然的细胞外基质,提供细胞活性和生长,从而促进生物打印类器官结构的成熟,在过去的十年中得到了广泛的关注和迅速发展。本文全面综述了动态生物链接技术在生物打印中的研究进展。首先,我们概述了动态生物墨水的分子设计原理,涉及两种主要模式:超分子力和可逆化学键。然后,强调了动态生物墨水在推进生物打印中的关键因素,包括可打印性、结构稳定性和细胞行为的调节。最后,综述进一步讨论了动态生物墨水制造组织和器官的挑战和前景,旨在为生物打印提供启发性的见解。
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引用次数: 0
Single atom horizons for shaping the future of catalysis and sustainability: the next frontiers in energy conversion and storage 塑造催化和可持续性未来的单原子视野:能量转换和存储的下一个前沿
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-19 DOI: 10.1016/j.pmatsci.2025.101525
Ghulam Yasin , Mohammad Tabish , Saira Ajmal , Qiongfang Zhuo , Muhammad Asim Mushtaq , Ali Saad , Mohammed Mujahid Alam , Huaihe Song
Single-atom catalysts have recently emerged as a revolutionary frontier in catalysis, energy production, and storage. Due to their compositional diversity, structural tunability, and modulated distinctive electronic properties, SACs pave significant promises for viable avenues toward a more sustainable future. Here, the discussion begins with the emergence of SACs, their synthesis techniques to regulate atomic dispersion, atomically-resolved advanced characterizations, probing different supports, and engineering strategies to boost stability and reactivity. This review as a key reference in this field comprises the mechanistic understanding of SACs in electrocatalysis, photocatalysis, and thermocatalysis for energy and environmental applications. We also discussed their transformative potential in H2 and O2 evolution reactions for water splitting, the reduction of O2, carbon dioxide, N2, and nitrate for electrocatalysis and photocatalysis, and their remarkable role in energy storage technologies, including metal-O2, lithium-sulfur, and metal-CO2 batteries. Additionally, we assess their efficiency in environmental remediation by removing harmful nitrogen oxides, various hydrogenation processes, catalytic oxidation, and CO2 hydrogenation, which sets this review apart from others. Despite the considerable progress, challenges persist in the scalability and commercial implementation of SACs. This comprehensive review significantly delivers valuable insights into the current advancement of SACs, highlighting their substantial potential and suggesting future research avenues that would enable next-generation technologies for energy conversion, storage, environmental sustainability, and various other functional applications.
近年来,单原子催化剂在催化、能源生产和储存方面出现了革命性的前沿。由于其组成的多样性、结构的可调性和调制的独特电子特性,SACs为实现更可持续的未来铺平了重要的道路。在这里,讨论从SACs的出现开始,它们的合成技术来调节原子分散,原子分辨高级表征,探测不同的支持,以及提高稳定性和反应性的工程策略。本文综述了SACs在电催化、光催化和热催化领域的应用机理,作为该领域的重要参考文献。我们还讨论了它们在H2和O2演化反应中的变革潜力,用于水分解,用于电催化和光催化的O2,二氧化碳,N2和硝酸盐的还原,以及它们在储能技术中的显着作用,包括金属-O2,锂-硫和金属- co2电池。此外,我们通过去除有害的氮氧化物、各种加氢过程、催化氧化和二氧化碳加氢来评估它们在环境修复中的效率,这使本综述与其他综述不同。尽管取得了相当大的进展,但sac的可伸缩性和商业实现方面仍然存在挑战。这篇全面的综述对sac的当前进展提供了有价值的见解,突出了它们的巨大潜力,并提出了未来的研究途径,这些研究途径将使下一代技术能够用于能量转换、存储、环境可持续性和各种其他功能应用。
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引用次数: 0
Bridging biodegradable metals and biodegradable polymers: A comprehensive review of biodegradable metal–organic frameworks for biomedical application 桥接生物可降解金属和生物可降解聚合物:生物医学应用的生物可降解金属-有机框架的综合综述
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-15 DOI: 10.1016/j.pmatsci.2025.101526
Ting Zhang , Yameng Yu , Yupu Lu , Hao Tang , Kai Chen , Jiahui Shi , Zeqi Ren , Shuilin Wu , Dandan Xia , Yufeng Zheng
Metal-organic frameworks (MOFs) represent a category of intricate coordination polymers that are formed by the deliberate assembly of metal ions/clusters with organic ligands via coordination bonds. Their hybrid inorganic–organic composition and programmable structural adaptability endow them with multifunctionality. This integration enables degradation-controlled release of bioactive components, positioning MOFs as a uniquely versatile platform for biomedical applications. This review systematically outlines the structural taxonomy of MOFs and underscores their transformative potential in pharmaceutical delivery, therapeutic interventions, and biomedical imaging applications. The degradation behavior of MOFs is systematically summarized, as it governs the controlled release of guest molecules and metal ions, critically influencing their biosafety and therapeutic efficacy. Therefore, we further summarize the impacts of MOF degradation products in both in vitro and in vivo environments. Finally, we outline the challenges in translating laboratory findings into clinical products, and propose future research directions, so that to guide the rational design and construction of MOF-based biomedical platforms.
金属有机框架(mof)是一类复杂的配位聚合物,是由金属离子/簇与有机配体通过配位键进行刻意组装而形成的。它们的无机-有机混合组成和可编程的结构适应性赋予了它们多功能性。这种集成使生物活性成分的降解控制释放成为可能,将mof定位为生物医学应用的独特多功能平台。本文系统地概述了mof的结构分类,并强调了它们在药物输送、治疗干预和生物医学成像应用方面的变革潜力。系统总结了mof的降解行为,因为它控制着客体分子和金属离子的控制释放,对其生物安全性和治疗效果具有重要影响。因此,我们进一步总结了MOF降解产物在体外和体内环境中的影响。最后,我们概述了实验室成果转化为临床产品所面临的挑战,并提出了未来的研究方向,以指导基于mof的生物医学平台的合理设计和构建。
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引用次数: 0
Recent progress on segregated polymer composites for functional applications 功能型分离聚合物复合材料研究进展
IF 33.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-06-14 DOI: 10.1016/j.pmatsci.2025.101524
Yue-Yi Wang , Jie Li , Li-Chuan Jia , Jun Lei , Ding-Xiang Yan , Zhong-Ming Li
Polymer composites embedded with functional particles (e.g., conductive, thermally conductive, or magnetic fillers) integrate the processability of polymers with the tailored functionalities of these additives. However, conventional composites often necessitate excessively high loadings to establish percolation networks, leading to challenges such as increased costs, diminished mechanical performance, and compromised processability. Segregated structures-where particles are selectively localized at polymer domain interfaces-significantly enhance filler utilization efficiency, outperforming traditional composites with uniformly dispersed particles. Since our group’s seminal 2014 review on electrically conductive segregated polymer composites, extensive advancements have been achieved across diverse applications, including electromagnetic interference shielding, thermal management, and gas barriers. Innovative processing strategies have also been tailored to accommodate various polymer matrices. Despite these breakthroughs, critical gaps persist in understanding the mechanistic interplay and scalable fabrication of multifunctional segregated systems. This review systematically synthesizes the progress in segregated polymer composites over the past decade, emphasizing novel fabrication techniques, matrix-dependent design principles, and emerging functional applications. We critically analyze persistent challenges-such as interfacial control, and scalability-alongside recent solutions and evolving research trends. By elucidating structure–property correlations and offering actionable design guidelines, this work aims to drive the broader adoption of segregated structures and accelerate the development of next-generation high-performance functional materials.
嵌入功能性颗粒(例如,导电、导热或磁性填料)的聚合物复合材料将聚合物的可加工性与这些添加剂的定制功能集成在一起。然而,传统的复合材料通常需要过高的载荷来建立渗透网络,从而导致成本增加、机械性能下降和可加工性受损等挑战。分离结构-颗粒选择性地定位在聚合物域界面-显着提高填料的利用效率,优于均匀分散颗粒的传统复合材料。自2014年我们对导电分离聚合物复合材料进行了开创性的回顾以来,在电磁干扰屏蔽、热管理和气体屏障等各种应用领域取得了广泛的进展。创新的加工策略也被量身定制,以适应各种聚合物基质。尽管取得了这些突破,但在了解多功能分离系统的机制相互作用和可扩展制造方面仍然存在关键差距。本文系统地综述了近十年来分离聚合物复合材料的研究进展,重点介绍了新型制备技术、依赖于基体的设计原则和新兴的功能应用。我们批判性地分析了持续存在的挑战,如界面控制和可扩展性,以及最近的解决方案和不断发展的研究趋势。通过阐明结构-性能相关性并提供可操作的设计指南,这项工作旨在推动分离结构的广泛采用,并加速下一代高性能功能材料的开发。
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引用次数: 0
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