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Figure 4. (A) Optimized geometries [35] of 32 hydrogen atoms bonded in the tube in the two different ways: "ring by ring" configuration (in the middle) and "all rings together" configuration (at the right part) as analyzed in the text. The geometry of the tube without hydrogens is also plotted for comparison (left part). (B) Potential curves during the hydrogen approach to the three different carbon nanotubes shown in (A) (SWNT with no hydrogen atoms to its walls: blue line; SWNT with walls half filled with hydrogens: red line; and SWNT with walls full with hydrogen: green line). Modified from [35], G. E. Froudakis, Nano Lett. 1, 531 (2001). © 2001, American Chemical Society.

Figure 4. (A) Optimized geometries [35] of 32 hydrogen atoms bonded in the tube in the two different ways: "ring by ring" configuration (in the middle) and "all rings together" configuration (at the right part) as analyzed in the text. The geometry of the tube without hydrogens is also plotted for comparison (left part). (B) Potential curves during the hydrogen approach to the three different carbon nanotubes shown in (A) (SWNT with no hydrogen atoms to its walls: blue line; SWNT with walls half filled with hydrogens: red line; and SWNT with walls full with hydrogen: green line). Modified from [35], G. E. Froudakis, Nano Lett. 1, 531 (2001). © 2001, American Chemical Society.

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