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On the hydrogen storage capacity of carbon nanotube bundles
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View: Figures


Image of FIG. 1.
FIG. 1.

(a) Schematic of a SWCNT bundle exposed to an atomic H flux; the bundle is represented by a regular array of SWCNTs forming a hexagonal lattice on the plane normal to the SWCNT axes. The bundle is shown before (top) and after (bottom) its partial hydrogenation; the decrease in intertube spacing (bottom) is due to SWCNT swelling. (b) Characteristic dimensions of the bundle, namely, SWCNT radius, , SWCNT center-to-center distance, , and intertube spacing, . The dashed lines are used to indicate deformation due to SWCNT swelling upon hydrogenation.

Image of FIG. 2.
FIG. 2.

(a) Dependence on the H coverage of the radial strain for the (24,0) (solid diamonds), (20,0) (gray diamonds), (15,0) (open diamonds), (9,9) (open squares), and (13,4) (open circles) SWCNTs. The inset shows the dependence of on the pristine-SWCNT diameter for fully hydrogenated zigzag (solid diamonds), chiral (solid circles), and armchair (solid squares) nanotubes; the chiral SWCNTs examined have chiral angles ranging from 13.0° to 18.3°. (b) Least-squares fitting of the swelling function (solid line) to the atomistic-simulation results (discrete symbols) for the (9,9) SWCNT.

Image of FIG. 3.
FIG. 3.

(a) Dimensionless intertube spacing as a function of and its variation with the bundle density, as expressed by the dimensionless lattice parameter . The lines shown correspond to , 9.4, 9.7, 10.0, and 10.3. The inset shows the decrease of the bundle density as the lattice parameter increases; both quantities are made dimensionless with their values at the pristine state, . (b) as a function of for two bundle densities and its dependence on nanotube diameter or chirality, as expressed by the dimensionless parameter . The different lines in the two sets correspond to , 0.24, and 0.26.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: On the hydrogen storage capacity of carbon nanotube bundles