H2 and CO adsorption ability of cationic lithiated carbenes: A computational study

Reversible Hydrogen Storage by Planar Hypercoordinate Carbon Clusters

“…However, the low interaction of H 2 with materials leads to an unfavorable support for such hydrogen storage entities. − Many metal (Li, Sc, Ti, Ca, and Al)-based molecular structures were used for hydrogen storage purposes. − Out of all such metals, lithium metal creates special attention as an efficient hydrogen storage medium toward the research community. Several Li-based clusters, Li-decorated fullerenes, heterocyclic carbenes, and inorganic rings give promising results in some recent studies. − Planar sheet-like materials (nanomembranes and graphyne sheets) and Li incorporation on these two-dimensional materials improve hydrogen storage, − but due to low gravimetric density, such 2D materials cannot fulfill the requirement of hydrogen storage. Therefore, the search for 2D materials with improved gravimetric density will be essential.…”