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- 1. Phys. Rev. B 75, 113401 (2007) , “Enhancing the topological structures of defected carbon nanotubes with adsorbed hydrocarbon radicals at low temperatures”, R. L. Zhou, H. Y. He, and B. C. PanRealistic carbon nanotubes (CNTs) contain various structural defects by which the physical and chemical properties of the CNTs are significantly influenced. So, lowering the defect densities is of importance for the potential application of the CNTs. By performing tight-binding molecular dynamics... (Read more)
- 2. Phys. Rev. B 74, 235426 (2006) , “First-principles study of electronic properties of hydrogenated graphite”, A. Allouche and Y. FerroProgressive implantation of hydrogen atoms into graphite is modeled by first-principles density functional theory. The maximum H/C ratio was found at 53%, which is in good agreement with experimental results. The hydrogen trapping energy varies from −0.7 eV at very low concentrations to a... (Read more)
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Updated at 2010-07-20 16:50:39
Updated at 2010-07-20 16:50:39
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Materials
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Bond(35 tags)
Defect(interstitial)(18 tags)
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Element(65 tags)
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Sample(17 tags)
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