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Al/Ga-doped Li7La3Zr2O12 (LLZO) Garnets as Li-ion Solid-State Battery Electrolytes: Atomistic Insights into Local Coordination Environments and their Influence on 17O, 27Al and 71Ga NMR Spectra
2020
Journal of the American Chemical Society
Li7La3Zr2O12 (LLZO) garnets are among the most promising solid electrolytes for next-generation all-solid-state Li-ion battery applications due to their high stabilities and ionic conductivities. To help determine the influence of different supervalent dopants on the crystal structure and site preferences, we combine solid-state 17O, 27Al, and 71Ga magic angle spinning (MAS) NMR spectroscopy and density-functional theory (DFT) calculations. DFT-based defect configuration analysis for the
doi:10.1021/jacs.9b12685
pmid:31951131
pmcid:PMC7146863
fatcat:l3sks4xdwvhbjkvelc2anchmoe