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TDS of MWCNTs synthesized by thermal CVD (a) before and (b) after atmospheric plasma treatment, (c) TDS of MWCNTs synthesized by PECVD and (d) a HRTEM image for MWCNTs synthesized by PECVD where the circles indicate the nanopores with size existing in the MWCNT wall.
DFT results on hydrogen adsorption energies in the interlayer space of the graphite as a function of the interlayer distance.
Desorption behaviors of hydrogen stored in the nanopore with size of , obtained by MD simulations. Here, configuration (a) represents the initial structure, while (b) and (c) show the structures after 200 ps at 250 and 300 K, respectively.
DFT results for the change of heat in hydrogen adsorption on several sites of the CNT and estimated adsorption temperatures (K) at 0.1 and 4 MPa. Cases (A), (B), (C), (D), and (E) mean physisorption of on the exterior nanotube wall, on the interior nanotube wall, on a vacancy in the exterior wall, on a vacancy in the interior wall, and on edge atoms on the CNT tip, respectively.
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