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• W2069876924 endingPage "11384" @default.
• W2069876924 startingPage "11381" @default.
• W2069876924 abstract "In an attempt to tailor the dehydrogenation temperature of lithium imides, we have investigated the ternary imide Li2Ca(NH)2, which crystallizes in a structure (space group P3̅m1) different from that of Li2Mg(NH)2 (space group Iba2). First-principles density functional calculations yield the stable ground-state structure along with the correct hydrogen positions. Compared with the structural and thermodynamic data of the pure lithium imides, those Ca or Mg partially substituted ternary imides show decreased reaction enthalpies as well as dehydrogenation temperatures." @default.
• W2069876924 created "2016-06-24" @default.
• W2069876924 creator A5033651721 @default.
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• W2069876924 date "2008-08-19" @default.
• W2069876924 modified "2023-09-25" @default.
• W2069876924 title "Lithium Calcium Imide [Li₂Ca(NH)₂] for Hydrogen Storage: Structural and Thermodynamic Properties" @default.
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• W2069876924 doi "https://doi.org/10.1021/jp8020563" @default.
• W2069876924 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18710276" @default.
• W2069876924 hasPublicationYear "2008" @default.
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