Al/Ga-Doped Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> Garnets as Li-Ion Solid-State Battery Electrolytes: Atomistic Insights into Local Coordination Environments and Their Influence on <sup>17</sup>O, <sup>27</sup>Al, and <sup>71</sup>Ga NMR Spectra
Bora Karasulu, Steffen Emge, Matthias F. Groh, Clare P. Grey, Andrew J. Morris
Abstract
O signals originating from the dopant-coordinating oxygens are resolved and used for further characterization of the microenvironments at the dopant and other sites.
Topics & Concepts
DopantChemistrySolid-state nuclear magnetic resonanceDensity functional theoryDopingCrystallographyNMR spectra databaseIonic radiusCrystal structureMagic angle spinningIonFast ion conductorNuclear magnetic resonance spectroscopyPhysical chemistrySpectral lineElectrolyteNuclear magnetic resonanceComputational chemistryStereochemistryCondensed matter physicsPhysicsElectrodeAstronomyOrganic chemistryAdvanced Battery Materials and TechnologiesAdvanced NMR Techniques and ApplicationsAdvancements in Battery Materials