Disorder and Oxide Ion Diffusion Mechanism in La_1.54Sr_0.46Ga₃O_7.27 Melilite from Nuclear Magnetic Resonance.

ABSTRACT: Layered tetrahedral network melilite is a promising structural family of fast ion conductors that exhibits the flexibility required to accommodate interstitial oxide anions, leading to excellent ionic transport properties at moderate temperatures. Here, we present a combined experimental and computational magic angle spinning (MAS) nuclear magnetic resonance (NMR) approach which aims at elucidating the local configurational disorder and oxide ion diffusion mechanism in a key member of this structural family possessing the La_1.54Sr_0.46Ga₃O_7.27 composition. ¹⁷O and ⁷¹Ga MAS NMR spectra display complex spectral line shapes that could be accurately predicted using a computational ensemble-based approach to model site disorder ac

SUBMITTER: Corti L 

PROVIDER: S-EPMC10571088 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature