Adsorption of para-Hydrogen on Fullerenes

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.

References in corpus (4)

• OCS in small para-hydrogen clusters: energetics and structure with N=1-8 complexed hydrogen molecules
• Low temperature phase diagram of condensed para-Hydrogen in two dimensions
• Melting of a p-H2 monolayer on a lithium substrate
• Variational Monte Carlo study of the ground state properties and vacancy formation energy of solid para-H2 using a shadow wave function

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