1. High pressure study of sodium trihydride.
- Author
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Marqueño T, Kuzovnikov MA, Osmond I, Dalladay-Simpson P, Hermann A, Howie RT, and Peña-Alvarez M
- Abstract
The reactivity between NaH and H
2 has been investigated through a series of high-temperature experiments up to pressures of 78 GPa in diamond anvil cells combined with first principles calculations. Powder X-ray diffraction measurements show that heating NaH in an excess of H2 to temperatures around 2000 K above 27 GPa yields sodium trihydride (NaH3 ), which adopts an orthorhombic structure (space group Cmcm ). Raman spectroscopy measurements indicate that NaH3 hosts quasi-molecular hydrogen ( H 2 δ - ) within a NaH lattice, with the H 2 δ - stretching mode downshifted compared to pure H2 (Δ ν ∼-120 cm-1 at 50 GPa). NaH3 is stable under room temperature compression to at least 78 GPa, and exhibits remarkable P-T stability, decomposing at pressures below 18 GPa. Contrary to previous experimental and theoretical studies, heating NaH (or NaH3 ) in excess H2 between 27 and 75 GPa does not promote further hydrogenation to form sodium polyhydrides other than NaH3 ., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Marqueño, Kuzovnikov, Osmond, Dalladay-Simpson, Hermann, Howie and Peña-Alvarez.)- Published
- 2024
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