High resolution solid-state NMR on the desktop

Xu, Ke; Aldudak, Fettah; Pecher, Oliver; Braun, Marco; Neuberger, Andreas; Foysi, Holger; Günne, Jörn Schmedt auf der

doi:10.1016/j.ssnmr.2023.101884

Cited by 3 publications

(3 citation statements)

References 31 publications

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“…The spectra obtained for the La 2 CuO 3 F 2 sample on the 7.04 T NMR spectrometer are dominated by spinning side bands of the most intense peak at −127 ppm. By using a 1.4 T magnet in combination with a homemade MAS sample holder, 30 the spinning side bands were successfully suppressed through high spinning frequencies of ∼20 kHz, yielding two overlapping and thus not well-resolved peaks for La 2 CuO 3 F 2 centered at 40 and −36 ppm. The peak at −127 ppm of the 7.04 T data is not observed.…”

Section: Resultsmentioning

confidence: 99%

“…The samples were packed in 3D-printed inserts made of polypropylene and using a 3D-printed stator . Magic angle sample spinning on the 1.4 T magnet was carried out with a homemade conical stator with the sample packed in 3D-printed conical rotors, spinning at approximately 20 kHz . The chemical shift values refer to neat CFCl 3 .…”

Section: Methodsmentioning

confidence: 99%

“… 29 Magic angle sample spinning on the 1.4 T magnet was carried out with a homemade conical stator with the sample packed in 3D-printed conical rotors, spinning at approximately 20 kHz. 30 The chemical shift values refer to neat CFCl 3 . 31 The spectrum was analyzed with deconv2Dxy.…”

Section: Methodsmentioning

confidence: 99%

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Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Jacobs,

Wang,

Marques

et al. 2024

Inorg. Chem.

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≤ x ≤ 1) were obtained by topochemical reaction of oxide precursors La 2 Ni 1−x Cu x O 4 , prepared by citrate-based soft chemistry synthesis, with polyvinylidene fluoride (PVDF) as the fluorine source. Systematic changes of the crystal structure in the oxide as well as the oxyfluoride substitution series were investigated. For 0.2 ≤ x ≤ 0.9, the oxyfluorides adopt the monoclinic (C2/c) structural distortion previously solved for the x = 0.8 compound based on neutron powder diffraction data, whereas the sample with a lower Cu content of x = 0.1 crystallizes in the orthorhombic (Cccm) structure variant of La 2 NiO 3 F 2 . The orthorhombic-to-monoclinic structural transition was found to be the result of an additional tilt component of the Jahn−Teller elongated CuO 4 F 2 octahedra. The structural transitions were additionally studied by DFT calculations, confirming the monoclinic space group symmetry. The "channel-like" anionic ordering of the endmembers La 2 NiO 3 F 2 and La 2 CuO 3 F 2 was checked by 19 F MAS NMR experiments and was found to persist throughout the entire substitution series.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Jacobs,

Wang,

Marques

et al. 2024

Inorg. Chem.

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Exploring the Properties of Disordered Rocksalt Battery Cathode Materials by Advanced Characterization

Chen,

Leung,

Huang

2024

Adv Funct Materials

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Cation‐disordered metal oxides as cathode materials for Li ion batteries have been overlooked from early studies due to to the restriction of Li ion diffusion, leading to poor electrochemical performance. However, the discovery of a new disordered rocksalt (DRX) structured material Li1.211Mo0.467Cr0.3O2 with a high capacity of >260 mAh g−1 at 0.05 C opened new research prospects in this emerging field and established DRX materials as a promising alternative with wider choices of transition metal elements compared with currently widely used layered cathode materials. Some of the major obstacles of the DRX materials include γ‐LiFeO2 type cation short‐range‐order that impedes Li ion diffusion, irreversible oxygen loss, and transition metal dissolution, which also present challenges for appropriate characterization techniques. Several performance optimization strategies have been employed, including fluorine incorporation, high entropy modification, and surface coating. This review article focuses on advancements in characterization techniques to uncover underlying mechanisms of Li ion diffusion and degradation of the DRX cathode materials to address the abovementioned challenges and provide inspiration for future studies of this class of materials.

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Solid-state NMR spectroscopy

Aliev

2024

Nuclear Magnetic Resonance

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This solid-state NMR report summarises the subject and results of selected articles and original papers published in 2023. In addition to the published reviews, the two major sections in this report consider various methodological developments and a broad range of applications. The presented classification of papers into different sections and subsections is intended to ease the overview of the results, as well as to evaluate the directions in which solid-state NMR techniques and applications are likely to develop in the near future. The overall survey of published papers indicates that the number of electrolyte and battery materials studies by solid-state NMR has increased considerably in 2023 compared to previous years.

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High resolution solid-state NMR on the desktop

Cited by 3 publications

References 31 publications

Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Exploring the Properties of Disordered Rocksalt Battery Cathode Materials by Advanced Characterization

Solid-state NMR spectroscopy

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High resolution solid-state NMR on the desktop

Cited by 3 publications

References 31 publications

Ruddlesden–Popper Oxyfluorides La2Ni1–xCuxO3F2 (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Ruddlesden–Popper Oxyfluorides La2Ni1–xCuxO3F2 (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Exploring the Properties of Disordered Rocksalt Battery Cathode Materials by Advanced Characterization

Solid-state NMR spectroscopy

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Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure

Ruddlesden–Popper Oxyfluorides La₂Ni_1–xCu_xO₃F₂ (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure