Adsorption of para-Hydrogen on Fullerenes

Details Adsorption of para-Hydrogen on Fullerenes Adsorption of para-Hydrogen on Fullerenes

2004-12-27

arxiv.org/abs/cond-mat/0412706v2

Phys. Rev. B 71, 205421 (2005)

Physics

Condensed Matter

Statistical Mechanics

Scientific paper

10.1103/PhysRevB.71.205421

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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