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NMR study of electrolytes for Li rechargeable batteries: from liquid to solid electrolytes 锂可充电电池电解质的核磁共振研究:从液体到固体电解质
IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.ssnmr.2026.102071
Sojung Seo , Sunghee Min , Sangdoo Ahn , Young Joo Lee
A fundamental understanding of lithium-ion (Li+) interactions and ion-transport mechanisms in electrolytes is essential for the development of high-performance energy-storage systems. Nuclear magnetic resonance (NMR) spectroscopy serves as a powerful tool for elucidating Li+ coordination environments, ion dynamics, transport pathways, and the formation and evolution of solid–electrolyte interphases (SEIs) at electrode–electrolyte interfaces. This review summarizes recent NMR-based studies on liquid, inorganic solid, and polymer electrolytes, highlighting how chemical-shift analysis, multidimensional correlation experiments, relaxation measurements, pulsed-field gradient (PFG) techniques, and isotope-exchange NMR reveal the relationships between local structure and the short- and long-range dynamics of Li+ ions. Collectively, these advances underscore the importance of NMR spectroscopy in guiding the rational design of high-performance electrolyte systems for lithium rechargeable batteries.
对电解质中锂离子(Li+)相互作用和离子传输机制的基本理解对于高性能储能系统的开发至关重要。核磁共振(NMR)波谱是研究Li+配位环境、离子动力学、传输途径以及电极-电解质界面固体电解质界面(SEIs)形成和演化的有力工具。本文综述了近年来基于核磁共振的液体、无机固体和聚合物电解质的研究,重点介绍了化学位移分析、多维相关实验、弛豫测量、脉冲场梯度(PFG)技术和同位素交换核磁共振如何揭示Li+离子的局部结构与短期和长期动力学之间的关系。总的来说,这些进展强调了核磁共振波谱在指导锂可充电电池高性能电解质系统合理设计中的重要性。
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引用次数: 0
The roadmap towards AI-assisted pulse programming for solid-state NMR 固态核磁共振人工智能辅助脉冲编程的路线图
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-03-21 DOI: 10.1016/j.ssnmr.2026.102078
Yinglin Li, Maria Grazia Concilio, Xueqian Kong
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引用次数: 0
Exploring overlapping mechanisms of dynamic nuclear polarization in type 1b HPHT diamond 1b型HPHT金刚石动态核极化重叠机制探讨
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-03-19 DOI: 10.1016/j.ssnmr.2026.102076
Brendan C. Sheehan, Margaret Hubble, Daphna Shimon, Chandrasekhar Ramanathan
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引用次数: 0
Investigation of the late-Roman burial chamber at Reichertsberg in Trier by NMR depth profiling 利用核磁共振深度剖面对特里尔赖切茨堡晚期罗马墓室的调查
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-03-19 DOI: 10.1016/j.ssnmr.2026.102074
C. Golini, Q. Yang, M. Waldecker, R. Lenz, L. Brizi, S. Haber-Pohlmeier, A. Pohlmeier, P. Tomassini, J. Frick, J. Anders, B. Blümich, F. Heimerl
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引用次数: 0
From overlap to resolution: Cellular solid-state NMR at ultrahigh-field 1.5 GHz demonstrated on fungal cell walls 从重叠到分辨率:在真菌细胞壁上展示了超高场1.5 GHz的细胞固态核磁共振
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-03-19 DOI: 10.1016/j.ssnmr.2026.102075
Malitha C. Dickwella Widanage, Ankur Ankur, Bennett Addison, Ivan Huang, Xiaoling Wang, Peter L. Gor'kov, Zhehong Gan, Anne E. Harman-Ware, Tuo Wang
Ultrahigh-field solid-state NMR in the GHz frequency range has opened new frontiers for probing complex, heterogeneous biological systems with unprecedented spectral resolution. Here, we demonstrate the advantages of a 1.5 GHz (35.2 T) NMR spectrometer for cellular solid-state NMR by quantitatively assessing 13C linewidth improvements in intact, living fungal cells of Aspergillus fumigatus. High-quality 2D13C-13C correlation spectra were acquired within 2-5 h, showing consistent linewidth narrowing of 0.05-0.15 ppm under idealized conditions and exceeding 0.2 ppm under realistic, power-limited running time constraints relative to 800 MHz. The resolution gains are especially pronounced for overlapped and inhomogeneously broadened resonances in multidimensional correlation experiments and are most significant in power-demanding recoupling experiments where acquisition times must be shortened. These improvements enable the resolution of extensive previously inaccessible spectral multiplicity and structural polymorphism in cellular carbohydrates such as chitin and α-1,3-glucan, while substantially reducing experimental time relative to lower-field approaches. These results illustrate the potential advantages of ultrahigh-field solid-state NMR for improving spectral resolution in complex cellular materials and emphasize the importance of continued development of computational and analytical approaches to effectively interpret the increasingly information-rich spectra obtained at these fields.
GHz频率范围内的超高场固态核磁共振以前所未有的光谱分辨率为探测复杂的非均质生物系统开辟了新的领域。在这里,我们通过定量评估烟曲霉(Aspergillus fumigatus)完整活真菌细胞的13C线宽改善,证明了1.5 GHz (35.2 T)核磁共振光谱仪用于细胞固态核磁共振的优势。在2-5 h内获得高质量的2D13C-13C相关光谱,在理想条件下线宽一致收窄0.05-0.15 ppm,在实际的,功率有限的运行时间约束下,相对于800 MHz,线宽超过0.2 ppm。在多维相关实验中,对于重叠和非均匀加宽的共振,分辨率增益尤其明显,并且在必须缩短采集时间的功率要求高的重耦合实验中,分辨率增益最为显著。这些改进可以解决细胞碳水化合物(如几丁质和α-1,3-葡聚糖)中广泛的以前无法获得的光谱多样性和结构多态性,同时相对于低场方法大大减少了实验时间。这些结果说明了超高场固态核磁共振在提高复杂细胞材料光谱分辨率方面的潜在优势,并强调了继续发展计算和分析方法以有效解释在这些领域获得的日益丰富的信息光谱的重要性。
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引用次数: 0
(MAS)n, n ≤ 8 (MAS)n, n≤8
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1016/j.ssnmr.2026.102073
A.J. Soukey, M.P. Augustine
The description of a 3D printed magic angle spinning (MAS) stator capable of stably spinning single powdered solid samples in 4 mm diameter printed rotors up to 7 kHz in a benchtop magnet is provided. Experimental 79Br nuclear magnetic resonance (NMR) results for up to n = 3 simultaneously spinning samples in one probe and one magnet are presented. Increasing the number spinning samples of the same material increases signal size as demonstrated for separate samples of powdered KBr and NaBr. Multiple sample access in one probe also allows for mixed sample studies in one experiment. This is explored with rotors separately loaded with KBr or NaBr inserted into one multiple spinner NMR probe. A stator design and print for spinning up to n = 8 samples simultaneously in one probe and one magnet is also shown. The maximum $5 cost for these parts lowers the barrier to entry for solid state MAS NMR, making it accessible to anyone with a printer, bench top magnet, and access to the internet.
提供了一种3D打印魔角旋转(MAS)定子的描述,该定子能够在4毫米直径的打印转子中稳定地旋转单个粉末固体样品,在台式磁铁中高达7 kHz。给出了在一个探针和一个磁体中同时旋转多达n = 3个样品的79Br核磁共振实验结果。增加相同材料的纺丝样品的数量会增加信号大小,如粉末KBr和NaBr的分离样品所示。在一个探针中的多个样本访问也允许在一个实验中进行混合样本研究。这是探索转子分别加载KBr或NaBr插入到一个多旋转核磁共振探针。一个定子的设计和打印,旋转多达n = 8个样品同时在一个探针和一个磁铁也显示。这些部件的最高成本为5美元,降低了固态MAS NMR的进入门槛,使任何人都可以使用打印机,台式磁铁和互联网。
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引用次数: 0
Editorial: Emerging Concepts and Applications in Solid-State NMR Spectroscopy 社论:固态核磁共振光谱学的新兴概念和应用
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-02-09 DOI: 10.1016/j.ssnmr.2026.102072
Brijith Thomas, G.N. Manjunatha Reddy
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引用次数: 0
Corrigendum to “Experimental and computational 17O solid-state NMR investigation of Na- and K-(bi)carbonate salts” [Solid State Nucl. Magn. Reson. 139 (2025) 102020] “Na-和K-(双)碳酸盐的实验和计算固态核磁共振研究”[固态核]的勘误表。粉剂。[au:] [139 (2025) 102020]
IF 3.2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1016/j.ssnmr.2026.102070
Austin Peach, Nicolas Fabregue, David Gajan, Frédéric Mentink-Vigier, Faith Scott, Christel Gervais, Danielle Laurencin
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引用次数: 0
Impact of shared facilities in advancing solid-state NMR research: 2025 edition 共享设施在推进固态核磁共振研究中的影响:2025年版
IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 Epub Date: 2025-11-28 DOI: 10.1016/j.ssnmr.2025.102053
Robert W. Schurko , Chad M. Rienstra , Christopher P. Jaroniec , Alexandar L. Hansen , W. Trent Franks , David L. Bryce , Andreas Brinkmann , Victor Terskikh , Steven P. Brown , Dinu Iuga , Carine van Heijenoort , Franck Fayon , Sylvain Bertaina , Carlos Alfonso , Göran Karlsson , Gerhard Gröbner , Marek J. Potrzebowski , Linda Cerofolini , Enrico Ravera , Marco Fragai , G.N. Manjunatha Reddy
Shared research facilities (SRFs) offer researchers cost-effective access to advanced analytical instrumentation that individual laboratories may find challenging to acquire or maintain. By centralizing resources, SRFs support a diverse user community including students, early-career scientists, senior principal investigators, and industrial collaborators, while providing expert technical support and ensuring efficient use of infrastructure and funding. These facilities not only drive research productivity and foster interdisciplinary collaboration, but also serve as centers for training the next generation of scientists. In this article, SRFs that offer solid-state nuclear magnetic resonance (NMR) capabilities are discussed, highlighting representative examples, their accessibility, governance models, technical operations, application areas, and data-sharing practices. Usage data reveal that solid-state NMR-based SRFs strongly align with high-priority research goals, contributing to impactful projects across chemistry, life sciences, and materials science, as reflected in publication outcomes. The article also emphasizes that the collaborative networks among SRFs enhance knowledge exchange and resource coordination. Such coordinated inter-facility partnerships are expected to address emerging challenges, ultimately supporting sustainable infrastructure that meets the evolving needs of the solid-state NMR community.
共享研究设施(srf)为研究人员提供了具有成本效益的先进分析仪器,单个实验室可能难以获得或维护。通过集中资源,srf支持多样化的用户社区,包括学生、早期职业科学家、高级主要研究人员和工业合作者,同时提供专家技术支持并确保有效使用基础设施和资金。这些设施不仅推动了研究生产力,促进了跨学科合作,而且还作为培训下一代科学家的中心。在本文中,将讨论提供固态核磁共振(NMR)功能的srf,重点介绍具有代表性的示例、它们的可访问性、治理模型、技术操作、应用领域和数据共享实践。使用数据显示,基于固态核磁共振的srf与高优先级的研究目标密切相关,有助于化学、生命科学和材料科学领域的有影响力的项目,这反映在发表结果中。研究人员之间的协作网络促进了知识交流和资源协调。这种协调的设施间合作伙伴关系有望解决新出现的挑战,最终支持可持续的基础设施,满足固态核磁共振社区不断发展的需求。
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引用次数: 0
On the optimal spectral resolution in quadrupole central transition NMR at ultrahigh magnetic fields 超高磁场下四极中心跃迁核磁共振的最佳光谱分辨率
IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 Epub Date: 2025-12-26 DOI: 10.1016/j.ssnmr.2025.102061
Ziyao Peng , Xiaolin Wang , Victor Terskikh , Ivan Hung , Zhehong Gan , Gang Wu
Quadrupole central transition (QCT) NMR has recently been shown to be an effective way of obtaining high spectral resolution for half-integer quadrupolar nuclei in slowly tumbling molecules in liquids. QCT NMR for slowly tumbling molecules shares many common characteristics with conventional CT-based solid-state NMR for half-integer quadrupolar nuclei. As a result, QCT NMR can be considered to be a cousin of solid-state NMR. Experimental QCT NMR data reported so far in the literature strongly indicate that the optimal resolution achievable in QCT NMR increases with the strength of the applied magnetic field (B0). In this study, we showed that, if the nuclear quadrupole interaction is the predominant relaxation mechanism, the minimal line width (expressed in ppm) obtained in QCT NMR is proportional to B0−3. In comparison, the corresponding field dependence in CT-based solid-state NMR is only B0−2. We also demonstrated that the presence of shielding anisotropy (SA) would significantly reduce the B0−3 dependence in QCT NMR. We presented new 17O (I = 5/2) QCT NMR results obtained at multiple magnetic fields up to 35.2 T and carefully examined a wide range of previously reported QCT NMR data from the literature for 27Al (I = 5/2), 39K (I = 3/2), 45Sc (I = 7/2), 59Co (I = 7/2), 71Ga (I = 3/2), and 87Rb (I = 3/2) nuclei. Our findings provide a general guideline for future QCT NMR applications especially at ultrahigh magnetic fields.
近年来,四极中心跃迁核磁共振(QCT)已被证明是获得液体中缓慢翻滚分子中半整数四极核的高光谱分辨率的有效方法。慢滚分子的QCT核磁共振与传统的基于ct的固态核磁共振具有许多共同特征。因此,QCT核磁共振可以被认为是固态核磁共振的表亲。目前文献报道的实验QCT核磁共振数据强烈表明,QCT核磁共振可达到的最佳分辨率随着外加磁场强度的增加而增加(B0)。在本研究中,我们发现,如果核四极相互作用是主要的弛豫机制,那么在QCT NMR中获得的最小线宽(以ppm表示)与B0−3成正比。相比之下,基于ct的固态核磁共振对应的场依赖仅为B0−2。我们还证明了屏蔽各向异性(SA)的存在会显著降低QCT核磁共振中B0−3的依赖性。我们提出了在高达35.2 T的多个磁场下获得的新的17O (I = 5/2) QCT核磁共振结果,并仔细检查了文献中广泛的先前报道的27Al (I = 5/2), 39K (I = 3/2), 45Sc (I = 7/2), 59Co (I = 7/2), 71Ga (I = 3/2)和87Rb (I = 3/2)核的QCT核磁共振数据。我们的发现为未来的QCT核磁共振应用,特别是在超高磁场下的应用提供了一般指导。
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Solid state nuclear magnetic resonance
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