Hydrogen Storage on Lithium Chloride/Lithium Bromide Surface at Cryogenic Temperature
Abstract
This article has expressed that Lithium chloride (LiCl) and Lithium bromide (LiBr) are good templates for low-temperature hydrogen storage. The structure and chemical reactivity of the derived templates were studied based on density functional theory (DFT). The adsorption process can be found in nature as quasisorption. The molecular hydrogen interacts with building blocks (with the Li+ center) through electrovalent interaction, and a single LiCl/LiBr molecule can absorb 10 H2 molecules with a high gravimetric weight percentage (32.00 for LiCl and 18.71 for LiBr), which is turn out to be promising systems according to the standard. The Gibbs free energy changes suggest a spontaneous hydrogen adsorption process at cryogenic temperature.
