Searched for: subject:"Exothermic%5C+H2%5C+desorption"
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Sunnardianto, G.K. (author), Bokas, G. (author), Hussein, A. (author), Walters, C.L. (author), Moultos, O.A. (author), Dey, P. (author)
A combined density functional theory and molecular dynamics approach is employed to study modifications of graphene at atomistic level for better H2 storage. The study reveals H2 desorption from hydrogenated defective graphene structure, V222, to be exothermic. H2 adsorption and desorption processes are found to be more reversible for V222 as...
article 2021