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Author Correction: Substitution and electrochemistry in layered oxide cathode materials for sodium-ion batteries. 作者更正:钠离子电池层状氧化物正极材料的替代和电化学。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-06 DOI: 10.1038/s41570-026-00804-z
Liangtao Yang, Xingxing Yin, Jun Wang, Yanan Sun, Yongchun Li, Zhenggang Zhang, Zhongqing Liu, Si-Min Huang, Philipp Adelhelm, Dong Zhou
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引用次数: 0
A conversation with a chemical biology pioneer. 与化学生物学先驱的对话。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-06 DOI: 10.1038/s41570-026-00803-0
Stuart Schreiber, Stephanie Greed
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引用次数: 0
Towards effective and ethical GenAI in chemistry education. 在化学教育中实现有效、道德的基因教育。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-06 DOI: 10.1038/s41570-026-00799-7
Kirsty Tinto, Lorraine Gibson van Mil, Fraser J Scott
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引用次数: 0
A call for chemical safety and sustainability. 呼吁化学品安全和可持续性。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-06 DOI: 10.1038/s41570-026-00798-8
Oskar Karlsson, Berit Olofsson, Aji P Mathew
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引用次数: 0
Substitution and electrochemistry in layered oxide cathode materials for sodium-ion batteries. 钠离子电池层状氧化物正极材料的替代与电化学。
IF 36.3 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-29 DOI: 10.1038/s41570-025-00795-3
Liangtao Yang,Xingxing Yin,Jun Wang,Yanan Sun,Yongchun Li,Zhenggang Zhang,Zhongqing Liu,Si-Min Huang,Philipp Adelhelm,Dong Zhou
Substitution is a vital strategy for developing high-performance sodium layered oxides (SLOs), which demonstrates great potential for making sodium-ion batteries a viable alternative to lithium-ion batteries. Numerous studies have been conducted on substituted SLOs; however, each substitute exhibits varied effects on the structure and electrochemical performance of the SLOs, and no clear design principles have been established. Clarifying the relationship among substitution, structure and performance is therefore important to enable a rational design strategy for high-performance SLOs. In this Review, the up-to-date substitution guidelines and the current understanding of how substitution affects the structure and electrochemistry in SLOs are discussed, and the site preference and characteristic redox features of different types of substitutes are outlined. The inherent challenges and opportunities for the innovation of better-performing SLOs are summarized, paving the way for accelerating the commercialization of SLO-based sodium-ion batteries and the realization of their applications ranging from electric vehicles to grid energy storage systems.
替代是开发高性能钠层状氧化物(slo)的重要策略,它显示了钠离子电池成为锂离子电池可行替代品的巨大潜力。已经对替代的slo进行了许多研究;然而,每种替代品对slo的结构和电化学性能的影响各不相同,并且没有明确的设计原则。因此,阐明替代、结构和性能之间的关系对于为高性能slo制定合理的设计策略非常重要。本文综述了最新的替代指南和目前对替代如何影响slo结构和电化学的理解,并概述了不同类型替代的位点偏好和氧化还原特征。总结了高性能slo创新的内在挑战和机遇,为加速slo基钠离子电池的商业化以及实现其从电动汽车到电网储能系统的应用铺平了道路。
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引用次数: 0
Stories from the scientist who changed how we visualize proteins 来自科学家的故事,他改变了我们看待蛋白质的方式。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-27 DOI: 10.1038/s41570-026-00800-3
Jane Richardson, Stephanie Greed
Ahead of her 85th birthday, Jane Richardson, Professor of Biochemistry at Duke University, discussed her life in science from making her own telescope to developing the ribbon diagrams for the 3D structure of proteins.
在她85岁生日之前,杜克大学生物化学教授简·理查森(Jane Richardson)讨论了她的科学生涯,从制作自己的望远镜到开发蛋白质3D结构的色带图。
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引用次数: 0
Making chemistry compute with non-steady-state chemical dynamics 用非稳态化学动力学进行化学计算
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-26 DOI: 10.1038/s41570-026-00796-w
Xuan Ji, Yueqi Chen, Xi Yu, Christian A. Nijhuis
Non-steady-state chemical dynamics offer a powerful tool for neuromorphic computing by harnessing nonlinear, collective, and time-evolving behaviours. Coupled with frameworks such as reservoir computing, these systems enable trajectory-based information processing at the molecular scale through concepts from chemical kinetics and far-from-equilibrium dynamics.
非稳态化学动力学通过利用非线性、集体和时间进化的行为,为神经形态计算提供了强大的工具。再加上油藏计算等框架,这些系统可以通过化学动力学和非平衡动力学的概念,在分子尺度上进行基于轨迹的信息处理。
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引用次数: 0
First-principles approaches and concepts to simulate electrochemical interfaces 模拟电化学界面的第一性原理方法和概念
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1038/s41570-025-00792-6
Mira Todorova, Stefan Wippermann, Jörg Neugebauer
Ab initio techniques have revolutionized the way theory helps practitioners to explore mechanisms governing reactions or properties, and develop new strategies for materials discovery and design. Nevertheless, their application to electrochemical systems remains limited, due to challenges electronic structure calculations face in achieving realistic descriptions of electrified solid–liquid interfaces, including potential and pH control or free energies of barrier configurations. The extension of the scope of simulations to achieve potential control, inherent to electrochemical experiments, is just emerging. In this Review, we discuss approaches to describing electrified interfaces between solid electrodes and liquid electrolytes in realistic environments. By exchanging energy, electronic charge and ions with their environment, electrochemical interfaces are thermodynamically open systems. Additionally, large electrostatic potential and field fluctuations occur on timescales and length scales relevant to chemical reactions. We discuss the key challenges for incorporating these features into ab initio simulations to facilitate broader community use and provide a new level of realism when exploring fundamental electrochemistry from first principles. State-of-the-art approaches for modelling electrified solid–electrolyte interfaces are critically discussed, highlighting key challenges in incorporating thermodynamic open-boundary conditions, large electrostatic potentials and their dynamic fluctuations into realistic ab initio simulations.
从头算技术已经彻底改变了理论帮助实践者探索控制反应或性质的机制的方式,并为材料的发现和设计开发了新的策略。然而,它们在电化学系统中的应用仍然有限,因为电子结构计算在实现带电固液界面的真实描述方面面临挑战,包括电位和pH控制或势垒构型的自由能。扩展模拟的范围以实现电化学实验固有的电位控制,这只是刚刚出现。在这篇综述中,我们讨论了在现实环境中描述固体电极和液体电解质之间带电界面的方法。通过与环境交换能量、电荷和离子,电化学界面是热力学开放的系统。此外,在与化学反应相关的时间尺度和长度尺度上,会出现较大的静电势和场波动。我们讨论了将这些特性纳入从头计算模拟的关键挑战,以促进更广泛的社区使用,并在从第一原理探索基本电化学时提供新的现实主义水平。最先进的方法模拟电气化固体-电解质界面进行了批判性的讨论,突出了关键挑战纳入热力学开放边界条件,大静电势和他们的动态波动到现实从头算模拟。
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引用次数: 0
The geopolitical future for chemistry 化学的地缘政治未来
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1038/s41570-026-00797-9
João Avó, Carina I. C. Crucho
In an era of global transition, new frontiers in chemistry — from space mining to circular technologies — are poised to reshape global power. This Comment explores how future supply chains, strategic resources, and chemistry could define the next era of geopolitical competition.
在全球转型的时代,化学的新领域——从太空采矿到循环技术——正准备重塑全球力量。本文探讨了未来供应链、战略资源和化学如何定义地缘政治竞争的下一个时代。
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引用次数: 0
Ion migration in perovskite solar cells. 钙钛矿太阳能电池中的离子迁移。
IF 36.3 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-21 DOI: 10.1038/s41570-025-00790-8
Jarla Thiesbrummel,Jovana V Milić,Carsten Deibel,Erik C Garnett,Shuxia Tao,Thomas Kirchartz,Antonio Guerrero,Petra Cameron,Wolfgang Tress,M Saiful Islam,Bruno Ehrler
Metal halide perovskite solar cells have considerable potential for next-generation solar power production. However, if not controlled, the migration of mobile ions can hamper the stability of perovskite solar cells. Intensive research efforts have devised methods of suppressing ion migration and degradation in perovskite materials, resulting in solar cells that are stable over thousands of hours during accelerated ageing testing. Here, we review the chemical origins of ion migration, its effect on material and device performance and stability, and strategies to mitigate its impact. Ion migration originates in the soft lattice of the halide perovskite framework and its low defect-formation energy, but there are many different strategies to reduce its effects, from compositional engineering of materials and device architecture changes to additives and strain engineering. The field has made great progress in understanding the origin and properties of mobile ions in halide perovskites and has improved operational stability beyond expectations. Nonetheless, there are still ample opportunities to further improve the long-term durability of perovskite solar cells, either by reducing ion migration or its effect on solar cell efficiency.
金属卤化物钙钛矿太阳能电池在下一代太阳能发电中具有相当大的潜力。然而,如果不加以控制,移动离子的迁移会阻碍钙钛矿太阳能电池的稳定性。密集的研究工作已经设计出抑制钙钛矿材料中离子迁移和降解的方法,从而使太阳能电池在加速老化测试中保持数千小时的稳定。在这里,我们回顾了离子迁移的化学起源,它对材料和器件性能和稳定性的影响,以及减轻其影响的策略。离子迁移起源于卤化物钙钛矿框架的软晶格及其低缺陷形成能量,但有许多不同的策略来减少其影响,从材料的成分工程和器件结构的变化到添加剂和应变工程。该领域在了解卤化物钙钛矿中可移动离子的起源和性质方面取得了很大进展,并且超出预期地提高了操作稳定性。尽管如此,通过减少离子迁移或其对太阳能电池效率的影响,仍然有充分的机会进一步提高钙钛矿太阳能电池的长期耐用性。
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引用次数: 0
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