Corti, Lucia, Hung, Ivan, Venkatesh, Amrit, Gor’kov, Peter L, Gan, Zhehong, Claridge, John B 
ORCID: 0000-0003-4849-6714, Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 and Blanc, Frederic ORCID: 0000-0001-9171-1454
(2024)
Local Structure in Disordered Melilite Revealed by Ultrahigh Field 71Ga and 139La Solid‐State Nuclear Magnetic Resonance.
ChemPhysChem, 25 (8).
e202300934-.
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accepted_cphc.202300934.pdf - Author Accepted Manuscript Available under License Creative Commons Attribution. Download (8MB) | Preview |
Abstract
<jats:p>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.</jats:p>
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | NMR spectroscopy, density functional calculations, disorder, melilite, solid electrolytes |
| Divisions: | Faculty of Science and Engineering > School of Physical Sciences |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 30 Jan 2024 08:14 |
| Last Modified: | 26 Apr 2024 14:32 |
| DOI: | 10.1002/cphc.202300934 |
| Related URLs: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3178055 |
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