Hydrogen Storage on Lithium Chloride/Lithium Bromide Surface at Cryogenic Temperature

Gourisankar Roymahapatra1,#,*,Email

Mrinal Kanti Dash1,2,#

Anjana Ghosh1,3,4

Abhishek Bag1,2

Santanu Mishra1

Sibaprasad Maity1

School of Applied Science and Humanities, Haldia Institute of Technology, Haldia, 721657, India
Department of Chemistry, Cooch Behar Panchanan Barma University, Cooch Behar, 736101, India
Department of Chemical Engineering, Haldia Institute of Technology, Haldia, 721657, India
A.B. Polypacks Pvt. Ltd., Howrah, 711409, India

Authors share the first authorship.

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.