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Hydrogen adsorption study on mixed oxides using the density functional theory

✍ Scribed by Salam, M. Abdus; Sufian, Suriati; Lwin, Ye

Book ID
123324887
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
746 KB
Volume
74
Category
Article
ISSN
0022-3697

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The influence of potassium (K) on the hydrogen (H) adsorption on graphene (G) was studied by means of density functional theory with the generalized gradient approximation. The structural parameters, bonding and magnetic properties of one and two H atoms interacting with potassium doped graphene (H–