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Energy catalysis through high-entropy materials by experiment, computation, and artificial intelligence 实验、计算、人工智能等高熵材料的能量催化
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102487
Hao Deng , Li-Ming Yang
High-entropy materials (HEMs) represent an emerging class of materials presenting significant opportunities and substantial challenges in energy catalysis, garnering increasing attention and interest. In this review, we summarize the recent advancements in key aspects of HEM research, including synthesis methodologies, characterization techniques, theoretical and computational simulations, and the application of artificial intelligence (AI) technology across these domains. By integrating knowledge and experience from these diverse perspectives, this review aims to provide fundamental understanding and in-depth insights to the scientific community and build bridges between different research areas. Specifically, we highlight the pivotal role of AI in accelerating the discovery and optimization of HEMs, from guiding the design of novel synthetic routes to advanced characterization, and enhancing the efficiency of computational simulations. Furthermore, by highlighting the intersections between catalysis, materials science, computational techniques, and AI, this review encourages interdisciplinary collaboration and innovation. It underscores the importance of combining expertise from different fields to tackle the huge challenges associated with HEMs, fostering a collaborative research ecosystem that is essential for breakthroughs in this emerging field. Looking ahead, we anticipate that the integration of AI-driven approaches will pave the way for innovation in scientific research and beyond.
高熵材料(HEMs)是一类新兴的材料,在能量催化方面呈现出巨大的机遇和挑战,引起了人们越来越多的关注和兴趣。在这篇综述中,我们总结了HEM研究的关键方面的最新进展,包括合成方法、表征技术、理论和计算模拟,以及人工智能(AI)技术在这些领域的应用。通过整合这些不同视角的知识和经验,本综述旨在为科学界提供基本的理解和深入的见解,并在不同的研究领域之间建立桥梁。具体来说,我们强调了人工智能在加速发现和优化hem方面的关键作用,从指导新合成路线的设计到高级表征,以及提高计算模拟的效率。此外,通过强调催化、材料科学、计算技术和人工智能之间的交叉,本综述鼓励跨学科合作和创新。它强调了将不同领域的专业知识结合起来解决与医疗保健相关的巨大挑战的重要性,培养了一个协作研究生态系统,这对这一新兴领域的突破至关重要。展望未来,我们预计人工智能驱动方法的整合将为科学研究及其他领域的创新铺平道路。
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引用次数: 0
Hydration-mediated morphological and electronic tuning in layered double perovskites for p-type transparent conductors p型透明导体层状双钙钛矿水化介导的形态和电子调谐
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102478
Jun Liu , Jianen Zhang , Qi Xue , Huiying Gao , Shirui Zhang , Jinfeng Xie , Li Guan , Xiaohong Zhang , He Huang
The development of high-performance transparent conductors (TCs) is critical for advancing transparent electronics and optoelectronic devices. While n-type TCs are well established, the development of p-type TCs remains hindered by the limited availability of suitable materials. In this study, the layered double perovskite Cs4ZnBi2Cl12 was synthesized as a promising p-type TC, which exhibits a wide direct band gap of 3.56 eV and intrinsic p-type conductivity. A hydration-mediated strategy was developed to trigger a near-spherical nanocrystal-to-nanorod transformation and modulate the electronic structure. First-principles calculations clarify that the lattice compressive strain induced by hydration significantly reduces the hole effective mass while increasing conductivity from 8.99 to 9.21 mS cm−1, outperforming traditional p-type TCs, such as CuAlO2 (3.4 mS cm−1) and SrCu2O2 (0.48 mS cm−1). These findings not only provide experimental validation of the theoretical predictions regarding Cs4ZnBi2Cl12 as a p-type TC but also establish a hydration strategy for optimizing the optical and electrical performance of layered double perovskites.
高性能透明导体(TCs)的发展对于推进透明电子和光电子器件的发展至关重要。虽然n型碳纳米管已经很成熟,但p型碳纳米管的发展仍然受到合适材料供应有限的阻碍。在本研究中,合成了层状双钙钛矿Cs4ZnBi2Cl12作为有前途的p型TC,它具有3.56 eV的宽直接带隙和固有的p型电导率。开发了一种水化介导策略来触发近球形纳米晶体到纳米棒的转变并调节电子结构。第一性原理计算表明,水化引起的晶格压缩应变显著降低了空穴的有效质量,同时将电导率从8.99 mS cm−1提高到9.21 mS cm−1,优于传统的p型tc,如CuAlO2 (3.4 mS cm−1)和SrCu2O2 (0.48 mS cm−1)。这些发现不仅为Cs4ZnBi2Cl12作为p型TC的理论预测提供了实验验证,而且为优化层状双钙钛矿的光学和电学性能建立了水化策略。
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引用次数: 0
Cell secretomes used as sole building blocks enable the fabrication of stable hydrogels for biomedical applications 细胞分泌组用作唯一的构建块,可以制造用于生物医学应用的稳定水凝胶
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102431
Ana Santos-Coquillat , Beatriz G. Neves , Raquel C. Gonçalves , Dora C.S. Costa , João F. Mano , Mariana B. Oliveira
Proteins serve as bioactive components and primary building blocks of hydrogels for bioengineering. While extracellular matrices and blood derivatives from animals and humans have been widely explored, the use of in vitro-cultured cells as bioactive sources remains limited. The cell secretome holds therapeutic potential administered in its liquid form and has been previously incorporated within exogenous materials that confer structural features to secretome-enriched devices. Producing hydrogels exclusively from cell-secreted sources could enhance the predictability, potency, and autologous character of these technologies. Here, we suggest the processing of secretomes derived from adipose-tissue-derived mesenchymal stromal cells (MSCs) and their further crosslinking into volumetric structures. Secretomes from pristine and interferon-γ (IFN-γ)-primed MSCs showed different protein compositions, with high reproducibility between production cycles, generalized high cytocompatibility, and pro-angiogenic activity. The platform introduced herein may be used to explore secretomes of different cell types, targeting applications that may benefit from their therapeutic and biotechnological potential.
蛋白质是生物工程水凝胶的主要组成部分和生物活性成分。虽然已经广泛探索了动物和人类的细胞外基质和血液衍生物,但体外培养细胞作为生物活性来源的使用仍然有限。细胞分泌组以液体形式施用具有治疗潜力,并且以前已被纳入外源性材料,赋予分泌组富集装置的结构特征。仅从细胞分泌的来源生产水凝胶可以提高这些技术的可预测性、效力和自生性。在这里,我们建议处理来自脂肪组织来源的间充质基质细胞(MSCs)的分泌组,并进一步交联成体积结构。来自原始和干扰素-γ (IFN-γ)引物MSCs的分泌组显示出不同的蛋白质组成,在生产周期之间具有高重复性,普遍的高细胞相容性和促血管生成活性。本文介绍的平台可用于探索不同细胞类型的分泌组,针对可能受益于其治疗和生物技术潜力的应用。
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引用次数: 0
Spatially confined synthesis of CsPbBr3 quantum dots for high-performance pure-blue light-emitting diodes 高性能纯蓝色发光二极管用CsPbBr3量子点的空间受限合成
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102416
Cong Wang , Jae-Min Myoung
All-inorganic CsPbX3 perovskite quantum dots (PeQDs) offer exceptional optical properties, yet producing bright, stable, pure-blue CsPbBr3 light-emitting diodes (PeLEDs) remains challenging due to a lack of reliable methods to precisely control the size of PeQDs and induce strong quantum confinement. Here, we report a spatial-confinement approach using metal-organic frameworks to synthesize monodisperse CsPbBr3 QDs as small as 1.9 nm. Subsequent surface engineering via 3,3-diphenylpropylamine ligand exchange and ionic liquid treated hole transport layers yields pure-blue PeLEDs with a luminance of 2,037 cd m−2 and an external quantum efficiency of 5.04% at 460 nm. Additionally, we introduce a scalable and solution-processable stamp-mask patterning technique for in situ fabrication of large-scale patterned pure-blue PeLEDs in the emission layer while preserving QD crystallization, nucleation, and film integrity. This simple, rapid, and effective strategy offers valuable reference for the controlled synthesis of ultrasmall PeQDs and the advancement of patterned optoelectronic devices.
全无机CsPbX3钙钛矿量子点(PeQDs)具有优异的光学性能,但由于缺乏精确控制PeQDs尺寸和诱导强量子约束的可靠方法,生产明亮、稳定的纯蓝色CsPbBr3发光二极管(pled)仍然具有挑战性。在这里,我们报道了一种使用金属有机框架的空间约束方法来合成小至1.9 nm的单分散CsPbBr3量子点。随后通过3,3-二苯基丙胺配体交换和离子液体处理的空穴传输层进行表面工程,得到亮度为2037 cd m−2的纯蓝色pled,在460 nm处的外量子效率为5.04%。此外,我们还介绍了一种可扩展和溶液可加工的印章掩模图图化技术,用于在发射层中原位制造大规模图图化纯蓝色pled,同时保持QD结晶,成核和薄膜完整性。这一简单、快速、有效的方法为超小型peqd的受控合成和图像化光电器件的发展提供了有价值的参考。
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引用次数: 0
Electrical control of a metal-mediated DNA memory 金属介导的DNA记忆的电子控制
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102470
Bo Liu , Brandon Lu , Arpan De , Kyoungdu Kim , Lara Perren , Karol Woloszyn , Galina Petrova , Ruihao Li , Chu-fan Yang , Chengde Mao , Antia S. Botana , Yoel P. Ohayon , James W. Canary , Ruojie Sha , M.P. Anantram , Simon Vecchioni , Joshua Hihath
We demonstrate that a single DNA duplex that is designed to allow binding to specific metal ions (Hg2+/Ag+) and <3 nm in length can function as a fully electronic multi-bit memory system (+1, 0, −1). The system is reversible, allowing digital information to be electrically written, read, and erased in a solid-state, chip-based platform. This demonstrates a method that can enable DNA-based systems to be integrated with conventional electronics at scale and to electrically control chemical reactions that allow the electronic structure within the DNA to be modified to store information.
我们证明,单个DNA双工被设计成允许与特定金属离子(Hg2+/Ag+)结合,并且长度为<; 3nm,可以作为一个全电子多比特存储系统(+ 1,0,−1)。该系统是可逆的,允许在固态芯片平台上对数字信息进行电写入、读取和擦除。这证明了一种方法,可以使基于DNA的系统与传统电子学大规模集成,并通过电气控制化学反应,从而修改DNA内的电子结构以存储信息。
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引用次数: 0
Application-oriented development of underwater superoleophobic materials: From bioinspired design to practical demands 面向应用的水下超疏油材料开发:从生物灵感设计到实际需求
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102569
Danna Liu , Wei Chen , Jingxin Meng , Shutao Wang
Since the discovery of the underwater superoleophobic phenomenon in fish scales, natural archetypes have continuously driven the advancement of underwater superoleophobic materials (USMs). Despite notable progress, achieving robust performance in complex real-world applications remains a challenge. In this review, we systematically trace the evolution of bioinspired USMs (BUSMs) from bioinspired design to practical demands. First, the evolution of bioinspired design and related foundational theories is reviewed. Then, we outline key design principles spanning non-responsiveness to stimuli-responsive interfaces and evaluate their performance against practical demands, including mechanical stability, environmental tolerance, and recovery capacity. Furthermore, we highlight emerging applications, such as oil droplet manipulation, anti-oil fouling, and oil/water separation. Finally, we discuss the critical challenges and opportunities of advanced BUSMs that are proposed to address emerging demands in their development.
自发现鱼鳞的水下超疏油现象以来,自然原型不断推动着水下超疏油材料(USMs)的发展。尽管取得了显著进展,但在复杂的实际应用程序中实现健壮的性能仍然是一个挑战。在这篇综述中,我们系统地追溯了生物启发usm (busm)从生物启发设计到实际需求的演变。首先,回顾了仿生设计的发展历程和相关的基础理论。然后,我们概述了从非响应性到刺激响应性界面的关键设计原则,并根据实际需求评估了它们的性能,包括机械稳定性、环境耐受性和恢复能力。此外,我们重点介绍了新兴应用,如油滴操纵,防油结垢和油水分离。最后,我们讨论了先进商业智能管理系统的关键挑战和机遇,这些挑战和机遇是为了解决其发展中出现的新需求而提出的。
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引用次数: 0
Evolution of host materials for halogen-based batteries 卤素基电池主体材料的发展
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102529
Haotian Zhu , Wenyu Xu , Hongbo Ding , Ze Chen , Chunyi Zhi , Xinliang Li
Halogen-based batteries (HBBs) exhibit promising potential for advanced energy storage demands due to their superior theoretical capacities and substantial raw material abundance. However, the inherent limitations associated with halogen chemistry severely impede the practical application of HBB technology. Host material engineering has emerged as an effective solution to address problems, including slow charge-transfer kinetics, unstable halogen redox, and undesired active species shuttling in HBBs. This review systematically delineates recent progress in host material development for advanced HBBs. Initially, the theoretical framework of HBBs is established by tracing evolutionary history, delineating battery configurations, and clarifying the fundamental halogen-based energy storage principles. Subsequently, the challenges associated with halogen conversion chemistry, the essential criteria for host materials, and current host design patterns are outlined. Finally, this review identifies the persistent challenges in current host applications and proposes strategic future research directions for developing high-performance next-generation HBBs.
卤素基电池(HBBs)由于其优越的理论容量和丰富的原材料,在先进的能源存储需求中表现出巨大的潜力。然而,卤素化学固有的局限性严重阻碍了HBB技术的实际应用。宿主材料工程已经成为解决问题的有效解决方案,包括缓慢的电荷转移动力学,不稳定的卤素氧化还原,以及HBBs中不希望的活性物质穿梭。这篇综述系统地描述了晚期HBBs宿主材料的最新进展。首先,通过追溯进化历史、描述电池配置和阐明基于卤素的基本储能原理,建立了HBBs的理论框架。随后,概述了与卤素转化化学、宿主材料的基本标准和当前宿主设计模式相关的挑战。最后,本文指出了当前主机应用中持续存在的挑战,并提出了未来开发高性能下一代HBBs的战略研究方向。
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引用次数: 0
Mechanistic insights into metal-organic framework thin film growth from microkinetic analysis of in situ X-ray scattering data 从原位x射线散射数据的微动力学分析对金属有机骨架薄膜生长的机理见解
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102430
Prem K. Reddy , Prince Verma , Ankit Dhakal , Rajan R. Bhawnani , Meagan Phister , Anish V. Dighe , Kevin H. Stone , Gaurav Giri , Meenesh R. Singh
Metal-organic framework (MOF) thin films offer exceptional properties for diverse applications, yet the mechanisms underlying MOF crystallization are not fully understood. Knowledge gaps remain regarding the nucleation and growth mechanisms of these highly porous, crystalline materials under dynamic evaporative conditions. Here, an in situ grazing incidence wide-angle X-ray scattering (GIWAXS) combined with a microkinetic model is used to probe the dynamic growth of MOF films. We show that while most high-order oligomers are produced in the solution phase, the key parameters that control thin-film growth are autocatalytic synthesis of secondary building units (SBUs) followed by physisorption on silicon wafer substrate, exponential growth due to evaporation-driven step growth, and transition to the stationary phase due to mass-transfer-limited growth. Importantly, this study demonstrates the applicability of this microkinetic modeling framework to predict film properties across a range of temperatures and reactant concentrations, allowing for rational design of MOF thin films.
金属有机框架(MOF)薄膜为各种应用提供了卓越的性能,但MOF结晶的机制尚不完全清楚。关于这些高多孔晶体材料在动态蒸发条件下的成核和生长机制的知识差距仍然存在。本文采用原位掠入射广角x射线散射(GIWAXS)技术结合微动力学模型来研究MOF薄膜的动态生长。我们发现,虽然大多数高阶低聚物是在溶液阶段产生的,但控制薄膜生长的关键参数是二级构建单元(SBUs)的自催化合成,随后在硅片衬底上物理吸附,蒸发驱动的阶梯生长导致的指数增长,以及由于传质限制生长而过渡到固定相。重要的是,这项研究证明了这种微动力学建模框架在不同温度和反应物浓度下预测薄膜性能的适用性,从而允许合理设计MOF薄膜。
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引用次数: 0
Precise heterodimerization of acceptors for high-efficiency binary organic solar cells 高效二元有机太阳能电池受体的精确异二聚化
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102465
Guangkuo Dai (戴光阔) , Jiali Song (宋佳利) , Jiawei Deng , Haisheng Ma , Ziwei Zhang , Yi Chan , Cen Zhang , Xunchang Wang , Jiaying Wu , Renqiang Yang , Xiaobo Sun (孙晓波) , Yanming Sun (孙艳明)
Although dimeric acceptors have demonstrated promising efficacy for improving operational stability of organic solar cells (OSCs), the power conversion efficiencies (PCEs) of corresponding binary devices remain constrained due to their weak intermolecular interactions and undesirable molecular packing. Here, we integrate a dimerization with asymmetric terminal strategy to design a heterodimer acceptor, NVB. Breaking molecular symmetry enhances dipole interactions and optimizes molecular packing, leading to superior charge transport and suppressed recombination. As a result, the PM6:NVB-based device achieves a record-high efficiency of 19.90% (certified as 19.35%), representing the highest value reported for all dimer-based binary devices thus far. Remarkably, the NVB-based device exhibits enhanced stability with a T80 (lifetime for maintaining 80% of its initial efficiency) over 1,500 h, attributed to elevated glass transition temperature (Tg). Overall, this work establishes an “asymmetric dimerization” paradigm that concurrently improves efficiency and stability through molecular engineering, providing a practical pathway toward high-performance OSCs.
尽管二聚体受体在提高有机太阳能电池(OSCs)的运行稳定性方面表现出了良好的效果,但由于其分子间相互作用弱和不良的分子堆积,相应的二元器件的功率转换效率(pce)仍然受到限制。在这里,我们将二聚化与不对称末端策略相结合,设计了一个异二聚体受体NVB。打破分子对称增强偶极相互作用和优化分子堆积,导致优越的电荷传输和抑制重组。因此,基于PM6: nvb的器件实现了19.90%(认证为19.35%)的创纪录高效率,代表了迄今为止所有基于二聚体的二进制器件所报告的最高值。值得注意的是,由于玻璃化转变温度(Tg)升高,基于nvb的器件表现出更高的稳定性,T80(保持80%初始效率的寿命)超过1500小时。总的来说,这项工作建立了一种“不对称二聚化”模式,通过分子工程同时提高了效率和稳定性,为高性能osc提供了一条实用的途径。
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引用次数: 0
Aramid fibers with dynamic strength up to 10 GPa and dynamic toughness up to 700 MJ m−3 芳纶纤维动态强度可达10gpa,动态韧性可达700mj m−3
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-07 DOI: 10.1016/j.matt.2025.102496
Jiajun Luo , Xudong Lei , Xiangzheng Jia , Mengdie Li , Dan Yan , Jin Li , Ziyi Zhang , Hongbo Dai , Chun Li , Wanli Zhou , Zuocheng Hu , Xiangyang Li , Shichen Xu , Jiankun Huang , Lianming Tong , Enlai Gao , Xianqian Wu , Kun Jiao , Zhenfei Gao , Jin Zhang
Ultra-high dynamic strength and toughness are crucial for fibrous materials in impact-protective applications. However, the trade-off between strength and toughness is a persistent challenge in materials science. Herein, by regulating the orientation of long carbon nanotubes within fibers, we fabricated carbon nanotube/heterocyclic aramid composite fibers with a dynamic strength of 10.3 GPa and a dynamic toughness of 706.1 MJ m−3. The ultra-high dynamic performance is attributed to the inhibited slippage and thus remarkable breakage of polymer chains during the high-strain-rate loading process; these behaviors are due to the improved alignment of polymer chains, reduced porosity, and thus enhanced interfacial interactions and load transfer efficiency therein induced by aligned long carbon nanotubes and multi-stage drafting. This work provides a fresh understanding and a feasible route for utilizing the intrinsic mechanical performance of polymer chains at the macroscale.
在冲击防护应用中,纤维材料具有超高的动态强度和韧性。然而,强度和韧性之间的权衡是材料科学中一个持久的挑战。通过调节长碳纳米管在纤维中的取向,我们制备了碳纳米管/杂环芳纶复合纤维,其动态强度为10.3 GPa,动态韧性为706.1 MJ m−3。超高的动态性能是由于在高应变率加载过程中抑制了聚合物链的滑移和明显的断裂;这些行为是由于排列的长碳纳米管和多阶段拉伸导致聚合物链的排列改善,孔隙率降低,从而增强了界面相互作用和负载传递效率。这项工作为在宏观尺度上利用聚合物链的内在力学性能提供了新的认识和可行的途径。
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引用次数: 0
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