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A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets

✍ Scribed by Ernesto Chigo Anota, Alejandro Rodríguez Juárez, Miguel Castro, Heriberto Hernández Cocoletzi

Book ID
118790063
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
753 KB
Volume
19
Category
Article
ISSN
1610-2940

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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–