Effects of radial strain on the desorption of hydrogen from the surface of palladium-doped carbon nanotubes

By using the first-principles method, the authors study the strain effects on hydrogen desorption on the surface of single-walled carbon nanotubes (SWCNTs). It is found that hydrogen chemisorbed on the surface of carbon nanotubes doped with Pd can be released under large radial strain, for the desorbed hydrogen atoms are molecularly bound by Pd atoms with several tenths of an eV. The method of desorption for the chemisorbed hydrogen can be expected to release the residual hydrogen on the surface of SWCNTs. (c) 2006 American Institute of Physics.