Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7709927 | International Journal of Hydrogen Energy | 2016 | 9 Pages |
Abstract
In this paper, Li2(BH4)(NH2) and Li4(BH4)(NH2)3 compounds were prepared through different synthesis approaches (ball milling, annealing treatment and liquid quenching) and characterized by X-ray diffraction and solid-state NMR. The thermal analysis of samples with various (LiBH4)1âx(LiNH2)x compositions (0 â¤Â x â¤Â 1) have been performed by High Pressure DSC. Lattice constants, chemical shifts and relative phase stability obtained by DFT turned out in good agreement with experimental data. On the basis of a combination of ab-initio calculations and experimental data, a thermodynamic assessment of the LiBH4LiNH2 system has been obtained using the Calphad method. Li2(BH4)(NH2) has been identified as a metastable phase and a peritectic melting of Li4(BH4)(NH2)3 compound has been established.
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Authors
Anna Wolczyk, Eugenio R. Pinatel, Michele R. Chierotti, Carlo Nervi, Roberto Gobetto, Marcello Baricco,