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Imaging supermoiré relaxation in helical trilayer graphene 螺旋三层石墨烯的超红外弛豫成像

IF 41.2 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2026-01-05 DOI: 10.1038/s41563-025-02423-3

Jesse C. Hoke, Yifan Li, Yuwen Hu, Julian May-Mann, Kenji Watanabe, Takashi Taniguchi, Trithep Devakul, Benjamin E. Feldman

引用次数: 0

Rational design of high-performance low-loading oxygen reduction catalysts for alkaline fuel cells. 碱性燃料电池高性能低负荷氧还原催化剂的合理设计。

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2026-01-02 DOI: 10.1038/s41563-025-02422-4

Huiqi Li, Rui Zeng, Zixiao Shi, Hongsen Wang, Denis Leshchev, Eli Stavitski, Miriam M Tellez-Cruz, Weixuan Xu, Mi-Ju Kim, Andrés Molina Villarino, Qihao Li, David A Muller, Héctor D Abruña

The lack of mechanistic understanding and catalyst design principles for alkaline electrolytes, especially for the sluggish oxygen reduction reaction, has impeded the advancement of alkaline fuel cells. Here we propose a modified volcano plot and apply this rationale to strategically design Pt nanosheets with PdH_x nanosheets substrates. This catalyst exhibited high stability with a specific activity of 1.71 mA cm^-2 at 0.95 V versus the reversible hydrogen electrode, surpassing the benchmark of Pt/C by 49-fold. Spectroscopic, electrochemical and electron microscopic characterizations revealed that such performance enhancement originated from tensile-strained Pt{111} facets, improving oxidative stability and suppressing carbon corrosion. In fuel cell testing, the catalyst enabled a peak power density of 1.67 W cm^-2 with a loading of 10 µg_{PGM Cathode} cm^-2. Further optimization delivered a peak power density of 21.7 W mg^-1_{PGM Cathode+Anode} with a total specific catalyst cost US$1.27 kW^-1, surpassing the US Department of Energy's Pt group metal loading and cost targets. This study provides valuable insights into catalyst design for the alkaline oxygen reduction reaction.

缺乏对碱性电解质的机理理解和催化剂设计原则，特别是对缓慢的氧还原反应，阻碍了碱性燃料电池的发展。在这里，我们提出了一个改进的火山图，并应用这一原理来策略性地设计铂纳米片与PdHx纳米片衬底。与可逆氢电极相比，该催化剂在0.95 V下的比活度为1.71 mA cm-2，比Pt/C基准高出49倍。光谱、电化学和电镜表征表明，这种性能增强源于拉伸应变Pt{111}面，提高了氧化稳定性，抑制了碳腐蚀。在燃料电池测试中，该催化剂在阴极cm-2负载为10µgPGM的情况下实现了1.67 W cm-2的峰值功率密度。进一步优化后，阴极+阳极的峰值功率密度为21.7 W mg-1PGM，总比催化剂成本为1.27 kW-1美元，超过了美国能源部Pt族金属负载和成本目标。本研究为碱氧还原反应的催化剂设计提供了有价值的见解。

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引用次数: 0

Artificial intelligence-driven approaches for materials design and discovery 人工智能驱动的材料设计和发现方法。

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2026-01-02 DOI: 10.1038/s41563-025-02403-7

Mouyang Cheng, Chu-Liang Fu, Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nguyen Tuan Hung, Mingda Li

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial and error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence, have reshaped the landscape of designing new materials. Among these approaches, inverse design has shown great promise in designing materials that meet specific property requirements. In this Review, we present key computational advances in materials design over the past few decades. We follow the evolution of relevant materials design techniques, from high-throughput forward machine learning methods and evolutionary algorithms, to advanced artificial intelligence strategies such as reinforcement learning and deep generative models. We highlight the paradigm shift from conventional screening approaches to inverse generation driven by deep generative models. Finally, we discuss current challenges and future perspectives of materials inverse design. This Review may serve as a brief guide to the approaches, progress and outlook of designing future functional materials with technological relevance. Computational approaches to materials design promise to accelerate the discovery of materials with superior functionalities. This Review presents key computational advances in materials design over the past few decades, highlighting the paradigm shift from conventional screening approaches to inverse generation driven by deep generative models. Current challenges and future perspectives of materials inverse design are also discussed.

材料设计是现代科学技术的重要组成部分，但传统方法严重依赖于试验和错误，效率低下。在现代人工智能的推动下，计算技术重塑了设计新材料的格局。在这些方法中，逆设计在设计满足特定性能要求的材料方面显示出很大的希望。在这篇综述中，我们介绍了过去几十年来材料设计中关键的计算进展。我们关注相关材料设计技术的发展，从高通量前向机器学习方法和进化算法，到先进的人工智能策略，如强化学习和深度生成模型。我们强调从传统的筛选方法到由深度生成模型驱动的逆生成的范式转变。最后，我们讨论了材料反设计的当前挑战和未来前景。本文综述了与技术相关的未来功能材料的设计方法、进展和展望。

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引用次数: 0

Extended networks 扩展网络。

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-24 DOI: 10.1038/s41563-025-02466-6

The ability to make porous extended structures in a predictable manner is now a mature and useful concept for materials scientists to solve real-world problems.

以可预测的方式制造多孔扩展结构的能力现在是材料科学家解决现实世界问题的成熟和有用的概念。

引用次数: 0

Interwoven magnetic kagome metal overcomes geometric frustration 交织磁性金属克服几何挫折

IF 41.2 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-22 DOI: 10.1038/s41563-025-02414-4

Erjian Cheng, Kaipu Wang, Yiqing Hao, Wenqing Chen, Hengxin Tan, Zongkai Li, Meixiao Wang, Wenli Gao, Di Wu, Shuaishuai Sun, Tianping Ying, Simin Nie, Yiwei Li, Walter Schnelle, Houke Chen, Xingjiang Zhou, Ralf Koban, Yulin Chen, Binghai Yan, Yi-feng Yang, Weida Wu, Zhongkai Liu, Claudia Felser

Magnetic kagome materials provide a platform for exploring magneto-transport phenomena, symmetry breaking and charge ordering driven by the intricate interplay among electronic structure, topology and magnetism. Yet geometric frustration in conventional kagome magnets limits their tunability. Here we propose a design strategy for interweaving quasi-one-dimensional magnetic Tb zigzag chains with non-magnetic Ti-based kagome bilayers in TbTi3Bi4. Comprehensive spectroscopic analyses reveal coexisting elliptical-spiral magnetic and spin-density-wave orders accompanied by a large ~90 meV band-folding gap. The combined magnetic and electronic state leads to a giant anomalous Hall conductivity of 105 Ω−1 cm−1, which exceeds that observed in frustrated kagome analogues. These results establish TbTi3Bi4 as a model system of magnetic kagome metals with strong electron–magnetism interactions and underscore the necessity of interweaving designed magnetic and charge layers separately to achieve tunable transport properties. This design strategy will enable the discovery of emergent quantum states and next-generation electronic materials.

磁性kagome材料为探索电子结构、拓扑和磁性之间复杂的相互作用所驱动的磁输运现象、对称破缺和电荷排序提供了一个平台。然而，传统kagome磁体的几何挫折感限制了它们的可调性。本文提出了一种准一维磁性Tb之字形链与非磁性ti基kagome双分子层在TbTi3Bi4中交织的设计策略。综合光谱分析表明椭圆-螺旋磁波阶和自旋密度波阶共存，并伴有一个大的~ 90mev的带折叠间隙。磁性和电子相结合的状态导致巨大的异常霍尔电导率为105 Ω−1 cm−1，这超过了在受挫的kagome类似物中观察到的。这些结果确立了TbTi3Bi4作为具有强电磁相互作用的磁性金属的模型系统，并强调了将设计的磁层和电荷层分开交织以实现可调输运性质的必要性。这种设计策略将使新兴量子态和下一代电子材料的发现成为可能。

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引用次数: 0

Real-space observation of flat-band ultrastrong coupling between optical phonons and surface plasmon polaritons 光学声子与表面等离子激元之间平带超强耦合的实空间观测

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-18 DOI: 10.1038/s41563-025-02412-6

Edoardo Vicentini, Xabier Arrieta, Martin Schnell, Nicolas Pajusco, Felix Begemann, Maria Barra Burillo, Maria Ramos, Andrei Bylinkin, Ruben Esteban, Javier Aizpurua, Rainer Hillenbrand

Strong and ultrastrong coupling are pivotal phenomena in science and technology, where light–matter hybridization opens new avenues for manipulating quantum states, material properties or chemical reactions. Here we use pump–probe nanospectroscopy for real-space mapping of vibrational ultrastrong coupling between optical phonons in a thin SiC layer and surface plasmon polaritons in a semiconductor (InAs) substrate. By adjusting the InAs carrier density through photoexcitation, we align the flat dispersion limit of the surface plasmon polaritons to the SiC transverse optical phonon, yielding hybridized modes in an intriguingly wide wavevector range. This flat-band ultrastrong coupling contrasts conventional ultrastrong coupling, where hybridization typically occurs in a narrow wavevector range. We further predict flat-band coupling for weak oscillators, illustrated by strong coupling of molecular vibrations with low-loss surface phonon polaritons at their dispersion limit. Achieving strong and ultrastrong coupling over a large wavevector range, and thus many hybrid modes, may benefit polariton chemistry and phase transitions induced by strong and ultrastrong coupling. Polariton interferometry reveals flat-band ultrastrong coupling between phonons and surface plasmon polaritons over a large wavevector range.

强耦合和超强耦合是科学技术中的关键现象，其中光-物质杂交为操纵量子态，材料性质或化学反应开辟了新的途径。在这里，我们使用泵浦探针纳米光谱对薄SiC层中的光学声子与半导体（InAs）衬底中的表面等离子体激元之间的振动超强耦合进行了实空间映射。通过光激发调节InAs载流子密度，我们将表面等离子激元极化子的平坦色散极限对准SiC横向光学声子，在一个有趣的宽波长范围内产生杂化模式。这种平波段超强耦合与传统的超强耦合形成了鲜明对比，传统的超强耦合中，杂化通常发生在狭窄的波长范围内。我们进一步预测了弱振子的平带耦合，如分子振动与低损耗表面声子极化子在其色散极限处的强耦合。在大波长范围内实现强耦合和超强耦合，从而实现多种杂化模式，可能有利于强耦合和超强耦合引起的极化化学和相变。极化子干涉测量揭示了声子和表面等离子激元极化子在大波长范围内的平波段超强耦合。

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引用次数: 0

The blackjack of ice 冰的二十一点

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-18 DOI: 10.1038/s41563-025-02439-9

Jonas A. Sellberg

Five different crystallization pathways of high-density ice at room temperature reveal a metastable ice phase with a body-centred tetragonal structure, termed ice XXI.

高密度冰在室温下的五种不同结晶途径揭示了具有体心四方结构的亚稳冰相，称为冰XXI。

引用次数: 0

Peptides and bioelectronics for cardiac cell therapy 心脏细胞治疗的多肽和生物电子学

IF 41.2 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-17 DOI: 10.1038/s41563-025-02453-x

Bruno Castro

引用次数: 0

Speeding up antiferromagnetic switching 加速反铁磁开关

IF 41.2 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-17 DOI: 10.1038/s41563-025-02454-w

Davide Bossini

引用次数: 0

Healing crystals without heat 无热愈合晶体

IF 38.5 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Nature Materials

Pub Date : 2025-12-17 DOI: 10.1038/s41563-025-02455-9

Kalyan J. Kalita, Catharine Esterhuysen, Leonard J. Barbour

An organic crystal repairs itself, even in liquid nitrogen, by using a dipole-driven mechanism rather than relying on thermal diffusion.

即使在液氮中，有机晶体也可以通过偶极驱动机制而不是依靠热扩散来自我修复。

引用次数: 0

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