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Exploring cluster formation in uranium oxidation using high resolution X-ray spectroscopy at elevated temperatures. 利用高分辨率x射线光谱在高温下探索铀氧化中的团簇形成。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-04-17 DOI: 10.1038/s43246-025-00795-2
Elena F Bazarkina, Stephen Bauters, Yves Watier, Stephan Weiss, Sergei M Butorin, Kristina O Kvashnina

Uranium dioxide (UO2) is a complex material with significant relevance to nuclear energy, materials science, and fundamental research. Understanding its high-temperature behavior is crucial for developing new uranium-based materials and improving nuclear fuel efficiency in nuclear reactors. Here we study the evolution of uranium state during the oxidation of UO2 in air at temperatures up to 550 °C using the in situ X-ray absorption spectroscopy in high energy resolution fluorescence detection mode at the U M4 edge, combined with electronic structure calculations. Our data reveal a complex sequence of events occurring over minutes and hours at elevated temperatures, including changes in the electronic and local structure, 5 f electron occupancy, the formation of U cuboctahedral clusters, and the creation of U4O9 and U3O7 mixed U oxide phases. These findings highlight the fundamental role of clustering processes and pentavalent uranium in both the oxidation process and the stabilization of uranium materials.

二氧化铀(UO2)是一种复杂的材料,与核能、材料科学和基础研究有着重要的关系。了解其高温行为对于开发新的铀基材料和提高核反应堆的核燃料效率至关重要。本文利用高能分辨率荧光检测模式下的原位x射线吸收光谱技术,结合电子结构计算,研究了在高达550℃的温度下UO2在空气中氧化过程中铀态的演变。我们的数据揭示了在高温下发生的一系列复杂事件,包括电子和局部结构的变化,5f电子占用,U立方体簇的形成,以及U4O9和U3O7混合U氧化物相的形成。这些发现突出了聚类过程和五价铀在铀材料氧化过程和稳定化中的基本作用。
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引用次数: 0
Effect of Peierls-like distortions on transport in amorphous phase change devices. 类佩尔畸变对非晶相变器件输运的影响。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-03-29 DOI: 10.1038/s43246-025-00776-5
Nils Holle, Sebastian Walfort, Riccardo Mazzarello, Martin Salinga

Today, devices based on phase change materials (PCMs) are expanding beyond their traditional application in non-volatile memory, emerging as promising components for future neuromorphic computing systems. Despite this maturity, the electronic transport in the amorphous phase is still not fully understood, which holds in particular for the resistance drift. This phenomenon has been linked to physical aging of the glassy state. PCM glasses seem to evolve towards structures with increasing Peierls-like distortions. Here, we provide direct evidence for a link between Peierls-like distortions and local current densities in nanoscale phase change devices. This supports the idea of the evolution of these distortions as a source of resistance drift. Using a combination of density functional theory and non-equilibrium Green's function calculations, we show that electronic transport proceeds by states close to the Fermi level that extend over less distorted atomic environments. We further show that nanoconfinement of a PCM leads to a wealth of phenomena in the atomic and electronic structure as well as electronic transport, which can only be understood when interfaces to confining materials are included in the simulation. Our results therefore highlight the importance and prospects of atomistic-level interface design for the advancement of nanoscaled phase change devices.

今天,基于相变材料(pcm)的器件正在扩展其在非易失性存储器中的传统应用,成为未来神经形态计算系统中有前途的组件。尽管这种成熟,但非晶相中的电子输运仍然没有完全理解,特别是电阻漂移。这种现象与玻璃态的物理老化有关。PCM玻璃似乎朝着具有越来越多的佩尔样扭曲的结构发展。在这里,我们提供了直接的证据,证明在纳米级相变器件中,类佩尔扭曲和局部电流密度之间存在联系。这支持了这些扭曲的演变是阻力漂移的来源的观点。利用密度泛函理论和非平衡格林函数计算的结合,我们证明了电子输运是在接近费米能级的状态下进行的,这些状态扩展到较少扭曲的原子环境中。我们进一步表明,PCM的纳米约束导致原子和电子结构以及电子输运中的大量现象,这些现象只有在模拟中包含约束材料的界面时才能理解。因此,我们的研究结果强调了原子级界面设计对于纳米级相变器件的发展的重要性和前景。
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引用次数: 0
Structural transformation for BaBiO3-δ thin films grown on SrTiO3-buffered Si(001) induced by an in-situ molecular beam epitaxy cooldown process. 原位分子束外延冷却工艺诱导srtio3缓冲Si(001)上生长的BaBiO3-δ薄膜的结构转变
IF 9.6 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-08-20 DOI: 10.1038/s43246-025-00877-1
Islam Ahmed, Olivier Richard, Partrick Carolan, Marco Gambin, Luca Ceccon, Moloud Kaviani, Stefan De Gendt, Clement Merckling

Oxygen loss is a common defect type in perovskites which is caused by a low oxygen background pressure during growth. BaBiO3-δ thin films are grown by molecular beam epitaxy on SrTiO3-buffered Si(001) substrates. Although activated oxygen is supplied during growth, large amount of oxygen vacancies is created in the thin film depending on the cooldown process. Perovskite structure is obtained when the cooldown process includes an extended period during which activated oxygen is supplied. Another way for inducing the structural transformation is enabled via an ex-situ anneal at molecular oxygen. The transformation into BaBiO3 is manifested as reconstructed octahedra based on transmission electron microscopy, Raman spectroscopy, and photoluminescence. Additionally, smaller out-of-plane lattice constant is observed for the perovskite phase supported by X-ray diffraction. Thermal mismatch and multivalency-facilitated tensile strain exerted on the layers by the underlying Si substrates are presented as the driving force behind the creation of oxygen vacancies.

氧损失是钙钛矿中常见的缺陷类型,它是由生长过程中低氧背景压引起的。采用分子束外延的方法在srtio3缓冲的Si(001)衬底上生长了BaBiO3-δ薄膜。虽然在生长过程中提供了活性氧,但根据冷却过程,薄膜中会产生大量的氧空位。当冷却过程包括一段较长时间的活性氧供应时,获得钙钛矿结构。诱导结构转变的另一种方法是通过分子氧的非原位退火实现的。通过透射电子显微镜、拉曼光谱和光致发光的分析,发现其转化为重组的八面体。此外,x射线衍射观察到钙钛矿相的面外晶格常数较小。热失配和由Si衬底施加在层上的多价促进的拉伸应变被认为是产生氧空位的驱动力。
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引用次数: 0
Geometrical design of 3D superconducting diodes. 三维超导二极管的几何设计。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-04-13 DOI: 10.1038/s43246-025-00788-1
Philip Jw Moll

The design of advanced functionality in superconducting electronics usually focuses on materials engineering, either in heterostructures or in compounds of unconventional quantum materials. Here we demonstrate a different strategy to bespoke function by controlling the 3D shape of superconductors on the micron-scale. As a demonstration, a large superconducting diode effect is engineered solely by 3D shape design of a conventional superconductor, ion-beam deposited tungsten. Its highly efficient diode behavior appears from its triangular cross-section when vortices break time-reversal and all mirror symmetries. Interestingly reciprocity is observed at four low-symmetry field angles where diode behavior would be expected. This can be understood as a geometric mechanism unique to triangular superconductors. Geometry and topology induce a rich internal structure due to the high-dimensional tuning parameter space of 3D microstructures, inaccessible to the conventional 2D design strategies in thin films.

超导电子学中先进功能的设计通常集中在材料工程上,无论是异质结构还是非常规量子材料的化合物。在这里,我们展示了一种不同的策略,通过在微米尺度上控制超导体的三维形状来定制功能。作为一个示范,一个大的超导二极管效应工程仅通过三维形状设计的传统超导体,离子束沉积钨。当涡旋破坏时间反转和所有镜像对称时,其三角形横截面表现出高效率的二极管特性。有趣的是,在四个低对称场角观察到互易性,而二极管的行为是预期的。这可以理解为三角形超导体特有的几何机制。由于三维微结构的高维可调参数空间,几何和拓扑结构诱导出丰富的内部结构,这是薄膜中传统的二维设计策略所无法实现的。
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引用次数: 0
Experimental signatures of interstitial electron density in transparent dense sodium. 透明致密钠中间隙电子密度的实验特征。
IF 9.6 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-09-01 DOI: 10.1038/s43246-025-00925-w
Christian V Storm, Stefano Racioppi, Matthew J Duff, James D McHardy, Eva Zurek, Malcolm I McMahon

The transparent hP4 phase of dense sodium (Na), stable above 200 GPa, has been computed to be an electride in which valence electrons are localised on interstitial lattice sites within the structure. However, there is no experimental evidence for this interstitial electron localisation in Na, or indeed in other high-density electride phases. Using static compression and single-crystal X-ray diffraction techniques, we have grown and studied a single-crystal sample of Na in the hP4 phase at 223 GPa. Using atomic form factors for hP4-Na derived from quantum crystallography techniques, we present experimental results to support the electride nature of this phase.

致密钠(Na)的透明hP4相稳定在200 GPa以上,被认为是一种电子,其价电子定位在结构内的间隙点阵上。然而,在Na或其他高密度电相中,没有实验证据表明这种间隙电子定位。利用静态压缩和单晶x射线衍射技术,我们生长并研究了223 GPa下hP4相的Na单晶样品。利用量子晶体学技术得到的hP4-Na的原子形状因子,我们提出了支持该相的电性质的实验结果。
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引用次数: 0
Biomimetic aerogels with hierarchical honeycomb architecture for superior CO2 adsorption, selectivity, and structural integrity. 具有分层蜂窝结构的仿生气凝胶,具有优越的CO2吸附,选择性和结构完整性。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-07-02 DOI: 10.1038/s43246-025-00861-9
Sucharita Pal, Edward Pl Roberts, Milana Trifkovic, Giovanniantonio Natale

In structured adsorbents, achieving mesoporosity, crucial for efficient gas adosorption, is challenging, which restricts mass transport and accessibility to active sites. Here, we address this limitation by developing the first hierarchically porous honeycomb aerogels that replicate hexagonal pores at both the macro-level and micro-level wall structure. This design, inspired by nature's most efficient patterns, enables us to achieve CO₂ adsorption capacity (3.94 mmol g-¹ at 298 K and 1 bar), selectivity (65.2 CO₂/N₂), and high specific surface area (370 m² g-¹). The honeycomb aerogels are constructed from manganese dioxide (MnO₂) functionalized electrochemically exfoliated graphene (MEEG) and chitosan (CS). By optimizing the MnO₂ loading and the MEEG to CS weight ratio, we achieved dual-scale hexagonal porosity, enabling a hybrid physical and chemical adsorption mechanism. The hybrid adsorption leverages the rapid kinetics of chemisorption and ease of regeneration characteristic of physisorption, making these materials highly efficient. This highlights the synergy between enhanced surface accessibility of primary amine groups and selective adsorption properties, setting a new standard for hierarchically structured materials.

在结构吸附剂中,实现对有效气体吸附至关重要的介孔是具有挑战性的,这限制了质量的传输和活性位点的可及性。在这里,我们通过开发第一种分层多孔蜂窝气凝胶来解决这一限制,这种气凝胶可以在宏观和微观层面的壁结构上复制六边形孔隙。这种设计灵感来自自然界最有效的模式,使我们能够实现CO₂吸附容量(在298 K和1 bar时为3.94 mmol g-¹),选择性(65.2 CO₂/N₂)和高比表面积(370 m²g-¹)。蜂窝气凝胶是由二氧化锰(mno2)功能化的电化学剥离石墨烯(MEEG)和壳聚糖(CS)构成的。通过优化MnO₂负载和MEEG / CS重量比,我们实现了双尺度六边形孔隙,实现了物理和化学混合吸附机制。混合吸附利用了化学吸附的快速动力学和物理吸附的易于再生特性,使这些材料高效。这突出了伯胺基团的表面可及性和选择性吸附性能之间的协同作用,为分层结构材料设定了新的标准。
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引用次数: 0
Short-wave magnons with multipole spin precession detected in the topological bands of a skyrmion lattice. 在斯基子晶格的拓扑带中检测到具有多极自旋进动的短波磁振子。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-07-04 DOI: 10.1038/s43246-025-00858-4
Ping Che, Riccardo Ciola, Markus Garst, Volodymyr Kravchuk, Priya R Baral, Arnaud Magrez, Helmuth Berger, Thomas Schönenberger, Henrik M Rønnow, Dirk Grundler

Topological magnon bands enable uni-directional edge transport without backscattering, enhancing the robustness of magnonic circuits and providing a novel platform for exploring quantum transport phenomena. Magnetic skyrmion lattices, in particular, host a manifold of topological magnon bands with multipole character and non-reciprocal dispersions. These modes have been explored already in the short and long wavelength limit, but previously employed techniques were unable to access intermediate wavelengths comparable to inter-skyrmion distances. Here, we report the detection of such magnons with wavevectors ∣q∣ ≃ 48 rad μm-1 in the metastable skyrmion lattice phase of the bulk chiral magnet Cu2OSeO3 using Brillouin light scattering microscopy. Thanks to its high sensitivity and broad bandwidth various multipole excitation modes could be resolved over a wide magnetic field regime. Besides the known counterclockwise, breathing and clockwise modes with dipole character, quantitative comparison of frequencies and spectral weights to theoretical predictions enabled the additional identification of a quadrupole mode and, possibly, a sextupole mode. Our work highlights the potential of skyrmionic phases for the design of magnonic devices exploiting topological magnon states at GHz frequencies.

拓扑磁振子能带实现无后向散射的单向边缘输运,增强了磁振子电路的鲁棒性,为探索量子输运现象提供了新的平台。特别是磁斯基子晶格,承载了多种具有多极特征和非互易色散的拓扑磁振子带。这些模式已经在短波长范围内进行了探索,但是以前使用的技术无法获得与天子间距离相当的中间波长。本文报道了用布里渊光散射显微镜在体手性磁体Cu2OSeO3的亚稳天子晶格相中探测到波长为∣q∣≃48 rad μm-1的磁振子。由于其高灵敏度和宽带宽,可以在宽磁场范围内分辨各种多极激励模式。除了已知的具有偶极子特征的逆时针、呼吸和顺时针模式外,将频率和频谱权重与理论预测进行定量比较,可以进一步确定四极子模式,也可能是六极子模式。我们的工作强调了skyrmionic相位在设计利用GHz频率拓扑磁振子态的磁振子器件方面的潜力。
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引用次数: 0
High harmonic spectroscopy reveals anisotropy of the charge-density-wave phase transition in TiSe2. 高谐波谱揭示了TiSe2中电荷密度波相变的各向异性。
IF 7.5 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-07-18 DOI: 10.1038/s43246-025-00873-5
Igor Tyulnev, Lin Zhang, Lenard Vamos, Julita Poborska, Utso Bhattacharya, Ravindra W Chhajlany, Tobias Grass, Samuel Mañas-Valero, Eugenio Coronado, Maciej Lewenstein, Jens Biegert

Charge density waves (CDW) appear as periodic lattice deformations which arise from electron-phonon and excitonic correlations and provide a path towards the study of condensate phases at high temperatures. While characterization of this correlated phase is well established via real or reciprocal space techniques, for systems where the mechanisms interplay, a macroscopic approach becomes necessary. Here, we demonstrate the application of polarization-resolved high-harmonic generation (HHG) spectroscopy to investigate the correlated CDW phase and transitions in TiSe₂. Unlike previous studies focusing on static crystallographic properties, the research examines the dynamic reordering that occurs within the CDW as the material is cooled from room temperature to 14 K. By linking ultrafast field-driven dynamics to the material's potential landscape, the study demonstrates HHG's unique sensitivity to highly correlated phases and their strength. The findings reveal an anisotropic component below the CDW transition temperature, providing insights into the nature of this phase. The investigation highlights the interplay between linear and nonlinear optical responses and their departure from simple perturbative dynamics, offering a fresh perspective on correlated quantum phases in condensed matter systems.

电荷密度波(CDW)表现为由电子-声子和激子相关引起的周期性晶格变形,为研究高温下的凝聚相提供了一条途径。虽然通过实空间或互反空间技术可以很好地确定相关相位的特征,但对于机制相互作用的系统,宏观方法是必要的。在这里,我们展示了偏振分辨高谐波产生(HHG)光谱的应用,以研究相关的CDW相位和跃迁在TiSe₂。与以往的研究不同,该研究关注的是静态晶体学特性,而该研究考察的是当材料从室温冷却到14k时,CDW内部发生的动态重排序。通过将超快场驱动动力学与材料的潜在景观联系起来,该研究证明了HHG对高度相关相及其强度的独特敏感性。研究结果揭示了CDW转变温度以下的各向异性成分,为该阶段的性质提供了见解。该研究强调了线性和非线性光学响应之间的相互作用以及它们与简单微扰动力学的背离,为凝聚态系统中的相关量子相提供了新的视角。
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引用次数: 0
Meta-analyses of the evolution of MXene synthesis for bioengineering and artificial intelligence-driven applications. 生物工程和人工智能驱动应用中MXene合成进化的meta分析。
IF 9.6 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-12-17 DOI: 10.1038/s43246-025-01007-7
Leena Regi Saleth, Mehak Gupta, Gautam Sharma, Elika Verma, Sanjiv Dhingra

The year 2011 marked a breakthrough in material science innovation with the discovery of MXenes, an emerging family of two-dimensional transition metal-based nanomaterials. Owing to their distinctive properties, MXenes have rapidly surfaced as transformative materials, particularly in energy-storage and nanomedicine. In this review, we systematically explore the evolution of MXene synthesis, from its discovery to current advancements, focussing on their bioengineering applications, through a meta-analytic and bibliometric lens. We discuss synthesis methods, ranging from hydrofluoric acid (HF)-based etching to non-HF approaches, along with post-synthesis processes like intercalation, delamination and surface functionalization, that tailor MXene properties for biomedical therapeutics. We also overview key microscopy, spectroscopy and diffraction-based characterization methods, to understand their structure and functionality. Additionally, discussion on artificial intelligence (AI)-driven innovations highlights the significant shift in material science. By connecting synthesis methods with resulting characteristics and meta-analyses trends, this review emphasizes MXenes' transformative potential in regenerative therapeutics and diagnostics.

随着MXenes(一种新兴的二维过渡金属基纳米材料)的发现,2011年标志着材料科学创新的突破。由于其独特的性质,MXenes迅速成为一种变革性材料,特别是在能源储存和纳米医学方面。在这篇综述中,我们通过元分析和文献计量学的视角,系统地探讨了MXene合成的演变,从它的发现到目前的进展,重点是它们的生物工程应用。我们讨论了合成方法,从基于氢氟酸(HF)的蚀刻到非氢氟酸方法,以及合成后的过程,如插层,分层和表面功能化,为生物医学治疗定制MXene特性。我们还概述了关键的显微镜,光谱学和基于衍射的表征方法,以了解它们的结构和功能。此外,关于人工智能(AI)驱动的创新的讨论凸显了材料科学的重大转变。通过将合成方法与结果特征和荟萃分析趋势联系起来,本综述强调了MXenes在再生治疗和诊断方面的变革潜力。
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引用次数: 0
Inhomogeneity in electronic phase and flat band in magnetic kagome metal Co3Sn2S2. 磁性金属Co3Sn2S2电子相的不均匀性和平带。
IF 9.6 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 Epub Date: 2025-11-03 DOI: 10.1038/s43246-025-00939-4
Sandy Adhitia Ekahana, Satoshi Okamoto, Jan Dreiser, Loïc Roduit, Igor Plokhikh, Dariusz Jakub Gawryluk, Andrew Hunter, Anna Tamai, Yona Soh

Co3Sn2S2 has been reported to be a Weyl semimetal with c-axis ferromagnetism below a Curie temperature of 177 K. Despite the large interest in Co3Sn2S2, the magnetic structure is still unclear. Recent studies have challenged the magnetic phase diagram of Co3Sn2S2 by reporting unusual magnetic phases including the presence of exchange bias. Here we show, using X-ray Magnetic Circular Dichroism, a shift in the magnetization hysteresis loop, reminiscent of exchange bias and establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. At 6 K, using spatially-resolved angle-resolved photoemission spectroscopy, we detect a butterfly-shaped electronic band structure at small regions of the sample distinct from the known ferromagnetic band structure. Our density functional theory calculations suggest that the butterfly bands correspond to an antiferromagnetic phase. Separately, we detect a sharp flat band at the Fermi level at some regions in the sample, which we attribute to a surface state. These different electronic states found in a stoichiometric intermetallic invite further efforts to explore the origin and nature of the electronic inhomogeneity associated to magnetism on the mesoscale.

Co3Sn2S2是一种在居里温度为177 K以下具有c轴铁磁性的Weyl半金属。尽管对Co3Sn2S2有很大的兴趣,但其磁性结构仍然不清楚。最近的研究通过报道不寻常的磁相包括交换偏置的存在,对Co3Sn2S2的磁相图提出了挑战。在这里,我们利用x射线磁圆二色性显示了磁化磁滞回线的位移,使人联想到交换偏置,并确定Co中的磁矩来自自旋,轨道矩可以忽略不计。在6 K时,利用空间分辨角分辨光发射光谱,我们在样品的小区域检测到蝴蝶状的电子带结构,与已知的铁磁带结构不同。我们的密度泛函理论计算表明,蝴蝶带对应于一个反铁磁相。另外,我们在样品的某些区域在费米能级上检测到一个尖锐的平坦带,我们将其归因于表面态。在化学计量金属间化合物中发现的这些不同的电子态,促使人们进一步努力探索与中尺度磁性相关的电子不均匀性的起源和本质。
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引用次数: 0
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