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Density functional theory study of the vibrational properties of hydrogenated graphene

โœ Scribed by Zhou, X.H.; Huang, Y.; Chen, X.S.; Lu, W.


Book ID
123132251
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
906 KB
Volume
157
Category
Article
ISSN
0038-1098

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Potassium influence in the adsorption of
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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 (Hโ€“