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• W2317365547 abstract "Li-oxide garnet-related structures are promising solid-state Li-ion electrolytes in Li-ion batteries. However, garnet-type structures are susceptible to carbonate and hydroxide formation in environments containing gaseous CO2 and H2O. Therefore, in considering garnets for Li-ion conducting applications, chemical stability is an important issue. We examine the chemical stability of Li7La3Zr2O12, Li7La3Sn2O12, and Li7La3Hf2O12 with respect to carbonate and hydroxide formation reactions using density functional theory (DFT) calculations. From these studies, we rank the chemical stability of Li-oxide garnet-related structures against CO2 and H2O. The ranking of these materials by their chemical stability with respect to carbonate and hydroxide formation changes at higher partial pressures of CO2 and H2O." @default.
• W2317365547 created "2016-06-24" @default.
• W2317365547 creator A5031523641 @default.
• W2317365547 creator A5061113150 @default.
• W2317365547 date "2014-07-22" @default.
• W2317365547 modified "2023-10-12" @default.
• W2317365547 title "First-Principles Study of Chemical Stability of the Lithium Oxide Garnets Li₇La₃M₂O₁₂ (M = Zr, Sn, or Hf)" @default.
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• W2317365547 doi "https://doi.org/10.1021/jp504314w" @default.
• W2317365547 hasPublicationYear "2014" @default.
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