期刊
PHYSICAL REVIEW LETTERS
卷 87, 期 11, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.87.116802
关键词
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We investigated the adsorption of a single atom, hydrogen and aluminum, on single-wall carbon nanotubes from first principles. The adsorption is exothermic, and the associated binding energy varies inversely as the radius of the zigzag tube. We found that the adsorption of a single atom and related properties can be modified continuously and reversibly by the external radial deformation. The binding energy on the high curvature site of the deformed tube increases with increasing radial deformation. The effects of curvature and radial deformation depend on the chirality of the tube.
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