1999
DOI: 10.1063/1.123833
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Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes

Abstract: Hydrogen adsorption on crystalline ropes of carbon single-walled nanotubes ͑SWNT͒ was found to exceed 8 wt. %, which is the highest capacity of any carbon material. Hydrogen is first adsorbed on the outer surfaces of the crystalline ropes. At pressures higher than about 40 bar at 80 K, however, a phase transition occurs where there is a separation of the individual SWNTs, and hydrogen is physisorbed on their exposed surfaces. The pressure of this phase transition provides a tube-tube cohesive energy for much o… Show more

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Cited by 896 publications
(487 citation statements)
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“…3. This result is consistent with many experiments, which reported that SWNTs have a certain hydrogen storage capacity at low temperature, [13][14][15] but have very low hydrogen uptake capacity at room temperature. [8][9][10][11][12] For H 2 molecules adsorbed on defected SWNTs, the situation is very different.…”
Section: B Adsorption Energies and Electron Density Contours Around supporting
confidence: 82%
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“…3. This result is consistent with many experiments, which reported that SWNTs have a certain hydrogen storage capacity at low temperature, [13][14][15] but have very low hydrogen uptake capacity at room temperature. [8][9][10][11][12] For H 2 molecules adsorbed on defected SWNTs, the situation is very different.…”
Section: B Adsorption Energies and Electron Density Contours Around supporting
confidence: 82%
“…2. The collision energy, 0.01 eV, is equivalent to the average translational kinetic energy of a particle system at a thermal equilibrium temperature of ϳ77 K. The high sticking coefficient in this case is consistent with the experimental results, [13][14][15][16] which showed that hydrogen uptake under cryogenic operating conditions were more favorable than at an ambient temperature. The second feature shown in Fig.…”
Section: A Hydrogen Molecules Adsorption On and Desorption From Swntssupporting
confidence: 79%
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“…Ye et al [175] reported a storage capacity of 8 wt.% for purified SWNTs at 80 K and a hydrogen pressure of 130 bar. SWNTs were purified by sonicating for 10 h in dimethyl formide followed by vacuum degassing for 10 h at 220°C.…”
Section: Carbon and Carbon-based Nanostructuresmentioning
confidence: 99%
“…During recent years, there has been a tremendous increase in interest in the production and characterization of carbon nanotubes, due to their unique mechanical and electrical properties leading to potential applications in nanoelectronics [1,2], nanostructures [3,4] and energy storage [5,6]. from the transition d31-lg-a3I-lu.…”
Section: Introductionmentioning
confidence: 99%