Adsorption and recombination of hydrogen atoms on a model graphite surface

Details Adsorption and recombination of hydrogen atoms on a model graphite surface Adsorption and recombination of hydrogen atoms on a model graphite surface

Jun 1985

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1985apj...293..243a&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 293, June 1, 1985, p. 243-250.

Astronomy and Astrophysics

Astrophysics

36

Adsorption, Atomic Recombination, Graphite, Hydrogen Atoms, Interstellar Matter, Astronomical Models, Chemisorption, Crystallography, Hueckel Theory

Scientific paper

The adsorption and recombination of atomic hydrogen on a model graphite grain have been examined in a series of calculations in which a modified, iterative, extended Hueckel program was used. The hydrogen atom is found to be chemisorbed at a site with a zero-point binding energy of 0.7 eV and at an equilibrium distance of 2.25 A above the site. Despite a barrier of about 0.4 eV between adjacent sites, calculations suggest that at temperatures as low as 10 K, an H atom will tunnel through to adjacent sites in less than one nanosecond. However, a potential barrier to the recombination of two hydrogen atoms has been found which displays high sensitivity to the mutual arrangement of the two hydrogen atoms with respect to the graphite surface. Results show that at very low temperatures, recombinations can occur only by tunneling. Consistent with experiment, the region in which H2 begins to form exhibits a repulsive potential with respect to possible chemisorption of the incipient H2 entity.

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