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YH Lee

Publications and source records attributed to YH Lee.

At least 19 recordsLinked to original sources

Adsorption and desorption of an O2 molecule on carbon nanotubes

Adsorption and desorption of an oxygen molecule on carbon nanotubes are investigated using density functional calculations. Several precursor states exist at the edge of armchair nanotubes, whereas an exothermic adsorption takes place at the edge of zigzag nanotubes. We also estimate desorption barriers of a CO molecule from nanotubes as well as fullerenes and amorphous phases. Our calculations suggest that carbon nanotubes can survive selectively during the oxidative etching process with a precise control of annealing temperature, in good agreement with experimental results of purification process of carbon nanotubes.

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Three-dimensional dendrite-tip morphology at low undercooling

We investigate the three-dimensional morphology of the dendrite tip using the phase-field method. We find that, for low undercoolings, this morphology is ostensibly independent of anisotropy strength except for a localized shape distortion near the tip that only affects the value of the tip radius rho [which is crudely approximated by rho approximately (1-alpha)rho(Iv) where rho(Iv) is the Ivantsov tip radius of an isothermal paraboloid with the same tip velocity and alpha is the stiffness anisotropy]. The universal tip shape, which excludes this distortion, is well fitted by the form z=-r(2)/2+A(4)r(4) cos 4straight phi where |z| is the distance from the tip and all lengths are scaled by rho(Iv). This fit yields A4 in the range 0.004-0.005 in good quantitative agreement with the existing tip morphology measurements in succinonitrile [LaCombe et al., Phys. Rev. E 52, 2778 (1995)], which are reanalyzed here and found to be consistent with a single cos 4straight phi mode nonaxisymmetric deviation from a paraboloid. Moreover, the fin shape away from the tip is well fitted by the power law z=-a|x|(5/3) with a approximately 0.68. Finally, the characterization of the operating state of the dendrite tip is revisited in the light of these results.

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Crystalline Ropes of Metallic Carbon Nanotubes

Fullerene single-wall nanotubes (SWNTs) were produced in yields of more than 70 percent by condensation of a laser-vaporized carbon-nickel-cobalt mixture at 1200degreesC. X-ray diffraction and electron microscopy showed that these SWNTs are nearly uniform in diameter and that they self-organize into "ropes," which consist of 100 to 500 SWNTs in a two-dimensional triangular lattice with a lattice constant of 17 angstroms. The x-ray form factor is consistent with that of uniformly charged cylinders 13.8 +/- 0.2 angstroms in diameter. The ropes were metallic, with a single-rope resistivity of <10(-4) ohm-centimeters at 300 kelvin. The uniformity of SWNT diameter is attributed to the efficient annealing of an initial fullerene tubelet kept open by a few metal atoms; the optimum diameter is determined by competition between the strain energy of curvature of the graphene sheet and the dangling-bond energy of the open edge, where growth occurs. These factors strongly favor the metallic (10,10) tube with C5v symmetry and an open edge stabilized by triple bonds.

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