Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 122, Issue 19, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1896353
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We have studied the formation of the H-2 molecule on a graphite surface, when both H atoms are initially physisorbed. The graphite surface is assumed to be planar. The interaction potential is modeled to reproduce the experimental properties of H physisorption on graphite. Extending our previous work [S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, J. Chem. Phys. 121, 6493 (2004)], full-dimensionality quantum calculations are presented for collision energies ranging from 4 to 50 meV. It is shown that the reaction occurs with a large cross section and produces the H-2 molecule with a considerable amount of vibrational energy. The mechanism is either direct or involves the formation of an intermediate complex. (c) 2005 American Institute of Physics.
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