@article {Wu201214336,
	title = {Metal free hydrogenation reaction on carbon doped boron nitride fullerene: A DFT study on the kinetic issue},
	journal = {International Journal of Hydrogen Energy},
	volume = {37},
	number = {19},
	year = {2012},
	note = {<p>HYFUSEN Special Issue for the 4th National - 3rd Latin American Conference on Hydrogen and Sustainable Energy Sources (HYFUSEN), 6-9 June 2011, Mar Del Plata, Argentina</p>
},
	pages = {14336 - 14342},
	abstract = {<p>By the incorporation of C into (BN)12 fullerene, our theoretical investigation shows that the hydrogenation reaction on carbon doped \{B11N12C\} cluster is both thermodynamically favored and kinetically feasible under ambient conditions. Without using the metal catalyst, the C atom can work as an activation center to dissociate \{H2\} molecule and provide the free H atom for further hydrogenation on the \{B11N12C\} fullerene, which saves the materials cost in practical applications for hydrogen storage. Moreover, the material curvature also plays an important role in reducing the activation barrier for the hydrogen dissociation on the \{BN\} fullerenes.</p>
},
	keywords = {Hydrogen storage},
	issn = {0360-3199},
	doi = {10.1016/j.ijhydene.2012.07.081},
	url = {http://www.sciencedirect.com/science/article/pii/S0360319912017119},
	author = {Hongyu Wu and Xiaofeng Fan and Jer-Lai Kuo}
}
