TITLE

Effect of vacancy defects in graphene on metal anchoring and hydrogen adsorption

AUTHOR(S)
Kim, Gyubong; Jhi, Seung-Hoon; Lim, Seokho; Park, Noejung
PUB. DATE
April 2009
SOURCE
Applied Physics Letters;4/27/2009, Vol. 94 Issue 17, p173102
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The dispersion of transition and alkaline-earth metals on defective graphenes is studied using first-principles calculations. The effect of vacancy defects on binding properties of metal atoms to the graphene and with hydrogen molecules is particularly investigated. It is shown that vacancy defects enhance efficiently the metal binding energy and thus its dispersion, particularly for alkaline-earth metals. Mg on vacancy defects shows a substantial increase in its binding energy and hydrogen uptake capacity. Among metals considered, Ca-vacancy complexes are found to exhibit the most favorable hydrogen adsorption characteristics in terms of the binding energy and the capacity.
ACCESSION #
38712358

 

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