Isotopic effects of hydrogen adsorption in carbon nanotubes
Abstract
We present diffusion Monte Carlo calculations of D adsorbed inside a narrow carbon nanotube. The 1D D equation of state is reported, and the one-dimensional character of the adsorbed D is analyzed. The isotopic dependence of the constitutive properties of the quantum fluid are studied by comparing D and H. Quantum effects due to their different masses are observed both in the energetic and the structural properties. The influence of the interatomic potential in one-dimensional systems is also studied by comparing the properties of D and He which have nearly the same mass but a sizeably different potential. The physics of molecular hydrogen adsorbed in the interstitial channels of a bundle of nanotubes is analyzed by means of both a diffusion Monte Carlo calculation and an approximate mean field method.
Cite
@article{arxiv.cond-mat/0109480,
title = {Isotopic effects of hydrogen adsorption in carbon nanotubes},
author = {M. C. Gordillo and J. Boronat and J. Casulleras},
journal= {arXiv preprint arXiv:cond-mat/0109480},
year = {2009}
}
Comments
17 pages, revtex, 9 ps figures, to be appear in Phys. Rev. B