Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5359587 | Applied Surface Science | 2014 | 5 Pages |
Abstract
Yttrium decorated graphene has been investigated as a potential carrier for high density hydrogen storage. The adsorption energy and optimized geometry for yttrium on pristine and boron doped graphene have been studied by DFT calculations. The clustering and stability of isolated yttrium atoms on graphene has also been considered. For yttrium decorated boron doped graphene, each yttrium can attach six hydrogen molecules with average adsorption energy of â0.568Â eV per hydrogen molecule and the hydrogen storage capacity of this material is 5.78Â wt.%, indicating yttrium decorated boron doped graphene as a promising hydrogen storage candidate.
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Authors
Wenbo Liu, Yang Liu, Rongguo Wang,