Morphological, Structural and Hydrogen Storage Properties of LaCrO3 Perovskite-Type Oxides

Abstract

Recently, perovskite-type oxides have attracted researchers as new materials for solid hydrogen storage. This paper presents the performances of perovskite-type oxide LaCrO3 dedicated for hydrogen solid storage using both numerical and experimental methods. Ab initio calculations have been used here with the aim to investigate the electronic, mechanical and elastic properties of LaCrO3Hx (x = 0, 6) for hydrogen storage applications. Cell parameters, crystal structures and mechanical properties are determined. Additionally, the cohesive energy indicates the stability of the hydride. Furthermore, the mechanical properties showed that both compounds (before and after hydrogenation) are stable. The microstructure and storage capacity at different temperatures of these compounds have been studied. We have shown that storage capacities are around 4 wt%. The properties obtained from this type of hydride showed that it can be used for future applications. XRD analysis was conducted in order to study the structural properties of the compound. Besides morphological, thermogravimetric analysis was also conducted on the perovskite-type oxide. Finally, a comparison of these materials with other hydrides used for hydrogen storage was carried out