title: Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials.
abstract: By the incorporation of C atoms into (BN)(12) fullerene, our theoretical investigation shows that carbon doped boron nitride cages (BNC) can achieve a high hydrogen storage amount of 7.43 wt%, and dehydrogenation of the corresponding BNC hydrides (BNC(H)) is thermodynamically favored for practical applications of hydrogen energy, making BNC competitive candidates for hydrogen storage materials.
authors.affiliation: Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371.
authors.forename: H Y
authors.initials: HY
authors.lastname: Wu
authors.forename: X F
authors.initials: XF
authors.lastname: Fan
authors.forename: Jer-Lai
authors.initials: JL
authors.lastname: Kuo
authors.forename: Wei-Qiao
authors.initials: WQ
authors.lastname: Deng