Local Structure in Disordered Melilite Revealed by Ultrahigh Field 71Ga and 139La Solid-State Nuclear Magnetic Resonance Spectroscopy
© 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH..
Multinuclear Nuclear Magnetic Resonance (NMR) spectroscopy of quadrupolar nuclei at ultrahigh magnetic field provides compelling insight into the short-range structure in a family of fast oxide ion electrolytes with La1+xSr1-xGa3O7+0.5x melilite structure. The striking resolution enhancement in the solid-state 71Ga NMR spectra measured with the world's unique series connected hybrid magnet operating at 35.2 T distinctly resolves Ga sites in four- and five-fold coordination environments. Detection of five-coordinate Ga centers in the site-disordered La1.54Sr0.46Ga3O7.27 melilite is critical given that the GaO5 unit accommodates interstitial oxide ions and provides excellent transport properties. This work highlights the importance of ultrahigh magnetic fields for the detection of otherwise broad spectral features in systems containing quadrupolar nuclei and the potential of ensemble-based computational approaches for the interpretation of NMR data acquired for site-disordered materials.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:25 |
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| Enthalten in: |
Chemphyschem : a European journal of chemical physics and physical chemistry - 25(2024), 8 vom: 16. Apr., Seite e202300934 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Corti, Lucia [VerfasserIn] |
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| Links: |
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| Themen: |
Density functional calculations |
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| Anmerkungen: |
Date Revised 25.04.2024 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1002/cphc.202300934 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 520 | |a © 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH. | ||
| 520 | |a Multinuclear Nuclear Magnetic Resonance (NMR) spectroscopy of quadrupolar nuclei at ultrahigh magnetic field provides compelling insight into the short-range structure in a family of fast oxide ion electrolytes with La1+xSr1-xGa3O7+0.5x melilite structure. The striking resolution enhancement in the solid-state 71Ga NMR spectra measured with the world's unique series connected hybrid magnet operating at 35.2 T distinctly resolves Ga sites in four- and five-fold coordination environments. Detection of five-coordinate Ga centers in the site-disordered La1.54Sr0.46Ga3O7.27 melilite is critical given that the GaO5 unit accommodates interstitial oxide ions and provides excellent transport properties. This work highlights the importance of ultrahigh magnetic fields for the detection of otherwise broad spectral features in systems containing quadrupolar nuclei and the potential of ensemble-based computational approaches for the interpretation of NMR data acquired for site-disordered materials | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a NMR spectroscopy | |
| 650 | 4 | |a density functional calculations | |
| 650 | 4 | |a disorder | |
| 650 | 4 | |a melilite | |
| 650 | 4 | |a solid electrolytes | |
| 700 | 1 | |a Hung, Ivan |e verfasserin |4 aut | |
| 700 | 1 | |a Venkatesh, Amrit |e verfasserin |4 aut | |
| 700 | 1 | |a Gor'kov, Peter L |e verfasserin |4 aut | |
| 700 | 1 | |a Gan, Zhehong |e verfasserin |4 aut | |
| 700 | 1 | |a Claridge, John B |e verfasserin |4 aut | |
| 700 | 1 | |a Rosseinsky, Matthew J |e verfasserin |4 aut | |
| 700 | 1 | |a Blanc, Frédéric |e verfasserin |4 aut | |
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