Structure and thermodynamic properties of the NaMgH3 perovskite: a comprehensive study

One of the bottlenecks in the implementation of a hydrogen economy is the development of storage materials that can uptake high content of H2 and release it within a suitable temperature and pressure range. Among the proposed hydride systems, the perovskite NaMgH3 is receiving increasing attention, not only as the Mg ternary based hydride with the highest hydrogen gravimetric (6 wt %) and volumetric density (88 g L−1) but also as a stable hydride likely to be formed in the transformation reactions of mixed hydrides. However, there is a large scatter in the literature for both the structure of the NaMgH3 compound and the thermodynamics of the hydrogenation/dehydrogenation processes. In this paper a critical review of the literature data, supported by a new set of experimental (in situ synchrotron X-ray diffraction, infrared spectroscopy, high-pressure differential scanning calorimetry, pressure composition isotherms) and theoretical data is presented. The influence of ball milling on the microstructure is ...