TITLE

Electric field: A catalyst for hydrogenation of graphene

AUTHOR(S)
Ao, Z. M.; Peeters, F. M.
PUB. DATE
June 2010
SOURCE
Applied Physics Letters;6/21/2010, Vol. 96 Issue 25, p253106
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H2 dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×1011 V/m), this hydrogenation process occurs smoothly without any potential barrier.
ACCESSION #
51709511

 

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