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Adsorption of para-Hydrogen on Fullerenes

Joseph D. Turnbull·Massimo Boninsegni
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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.

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BibTeXRIS

Joseph D. Turnbull, Massimo Boninsegni. 2005-05-27. Adsorption of para-Hydrogen on Fullerenes. https://doi.org/10.1103/physrevb.71.205421

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