Adsorption of para-Hydrogen on Fullerenes
Statistical Mechanics
2009-11-10 v2
Abstract
Adsorption of para-Hydrogen on the outer surface of a single fullerene is studied theoretically, by means of ground state Quantum Monte Carlo simulations. We compute energetics and radial density profiles of para-Hydrogen for various coverages on a variety of small fullerenes. The equilibrium adsorbed monolayer is commensurate with the surface of the fullerene; as the chemical potential is increased, a discontinuous change is generally observed, to an incommensurate, compressible layer. Quantum exchanges of Hydrogen molecules are absent in these systems.
Cite
@article{arxiv.cond-mat/0412706,
title = {Adsorption of para-Hydrogen on Fullerenes},
author = {Joseph D. Turnbull and Massimo Boninsegni},
journal= {arXiv preprint arXiv:cond-mat/0412706},
year = {2009}
}