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Sunnardianto, G.K. (author), Bokas, George (author), Hussein, A.H.A. (author), Walters, C.L. (author), Moultos, O. (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 H<sub>2</sub> storage. The study reveals H<sub>2</sub> desorption from hydrogenated defective graphene structure, V<sub>222</sub>, to be exothermic. H<sub>2</sub> adsorption and desorption processes...journal article 2021
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Wang, B. (author), Lumluksanaphaiboon, M. (author), Muraza, O. (author), Lin, W.K. (author), Zou, Y. (author)Document(en) uit de collectie Chemische Procestechnologiereport 2004