Hydrogen, the cleanest future fuel, can replace fossil fuel based on carbon. During the past decades, many methods for hydrogen production and storage have been studied for practical use. In particular, storage and transport of hydrogen has recently become a focus of intensive research for large-scale application of hydrogen energy systems.
One of the major challenges in the quest for feasible hydrogen-fueled vehicles is to develop lightweight materials with high hydrogen densities (>5wt %) which can absorb and release hydrogen in the range of 1-10 bar and 298-473 K.
Recently, perovskite materials have emerged as a multifunctional material for photovoltaics, luminescence, photocatalytics and hydrogen storage applications.
Ri Sol Hyang, a lecturer at the Faculty of Online Education, theoretically investigated the materials properties such as structural, electronic and lattice dynamics properties and mechanical and dynamical stabilities of the hydride perovskites ACaH3 (A = Li, Na) in cubic phase for its application as a hydrogen storage material by using the first-principles calculations.
The results show that cubic LiCaH3 is regarded as a potential H2 storage material due to its high H2 storage capacity, stability and suitable dehydrogenation temperature.
For more information, please refer to her paper “Perovskite-type hydrides ACaH3 (A = Li, Na): computational investigation on materials properties for hydrogen storage applications” in “RSC Advances” (SCOPUS).