Abstract:Hydrogenation reactions at gigapascal pressures can yield hydrogen-rich materials with properties relating to superconductivity, ion conductivity, and hydrogen storage. Here, we investigated the ternary Na–Si–H system by computational structure prediction and in situ synchrotron diffraction studies of reaction mixtures NaH–Si–H2 at 5–10 GPa. Structure prediction indicated the existence of various hypervalent hydridosilicate phases with compositions NamSiH(4+m) (m = 1–3) at comparatively low pressures, 0–20 GPa… Show more
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