@article {44123,
	title = {Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters},
	journal = {Journal of Physical Chemistry C},
	volume = {121},
	year = {2017},
	month = {NOV},
	pages = {26493-26498},
	type = {Article},
	abstract = {The present work demonstrates dissociative adsorption of molecular hydrogen on supported and unsupported aluminum Wclusters (Al-n, n = 4-8, 13) using density functional theory based calculations. The studies reveal that the presence of a BN-doped graphene surface support reduces the dissociative adsorption barrier of the bond in molecular hydrogen on even atom clusters. In particular, supported Al-6 demonstrates a barrier-less dissociative adsorption toward the H-2 molecule. These results demonstrate the excellent potential of supported Al nanoparticles for hydrogen storage and also the potential of doped graphene systems are catalyzing supports.},
	doi = {10.1021/acs.jpcc.7b07789},
	author = {Kumar, Deepak and Krishnamurty, Sailaja and Pal, Sourav}
}
