Adsorption of para-Hydrogen on Krypton pre-plated graphite
Abstract
Adsorption of para-Hydrogen on the surface of graphite pre-plated with a single layer of atomic krypton is studied thoretically by means of Path Integral Ground State Monte Carlo simulations. We compute energetics and density profiles of para-hydrogen, and determine the structure of the adsorbed film for various coverages. Results show that there are two thermodynamically stable monolayer phases of para-hydrogen, both solid. One is commensurate with the krypton layer, the other is incommensurate. No evidence is seen of a thermodynamically stable liquid phase, at zero temperature. These results are qualitatively similar to what is seen for for para-hydrogen on bare graphite. Quantum exchanges of hydrogen molecules are suppressed in this system.
Cite
@article{arxiv.cond-mat/0503507,
title = {Adsorption of para-Hydrogen on Krypton pre-plated graphite},
author = {Joseph Turnbull and Massimo Boninsegni},
journal= {arXiv preprint arXiv:cond-mat/0503507},
year = {2009}
}
Comments
12 pages, 6 figures, to appear in the proceedings of "Advances in Computational Many-Body Physics", Banff, Alberta (Canada), January 13-16 2005