TITLE

Strain effects on hydrogen storage capability of metal-decorated graphene: A first-principles study

AUTHOR(S)
Miao Zhou; Yunhao Lu; Chun Zhang; Yuan Ping Feng
PUB. DATE
September 2010
SOURCE
Applied Physics Letters;9/6/2010, Vol. 97 Issue 10, p103109
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We report an investigation on strain-engineered adsorption of metal atoms on graphene and hydrogen storage capabilities of metal-decorated graphene by using first-principles approach based on density functional theory. We show that an applied strain not only stabilizes the supported metal atoms and prevents them from clustering but further increases the hydrogen storage capacity. Specifically, a tensile strain of 10% in graphene increases the adsorption energy of Li (Ti) atom by around 75% (71%) and the gravimetric density of hydrogen storage up to 15.4 wt % (9.5 wt %), with a binding energy of ∼0.2 eV/H2.
ACCESSION #
53507793

 

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