The interaction of H atoms at graphite surfaces in relation with H2 formation in the interstellar medium

Details The interaction of H atoms at graphite surfaces in relation with H2 formation in the interstellar medium The interaction of H atoms at graphite surfaces in relation with H2 formation in the interstellar medium

Dec 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007msl..confe.115s&link_type=abstract

"Molecules in Space and Laboratory, meeting held in Paris, France, May 14-18, 2007. Editors: J.L. Lemaire, F. Combes. ISBN: 9782

Astronomy and Astrophysics

Astrophysics

Modelling_Interactions

Scientific paper

The adsorption of H atoms at the surface of dust grains and their subsequent desorptive recombination via Eley-Rideal (ER) or Langmuir-Hinshelwood (LH) reactions constitute the key steps for H2 formation and its anomalous large abundance in the interstellar medium. Over the past few years we have concerned ourselves at LCAM with model studies of interactions of H atoms at graphite-like surfaces (actually reasonably large PAH's) assumed to represent the surface of carbonaceous dust grains. The studies are based on DFT electronic structure descriptions of the interacting species and dynamics calculations of the recombination reactions (quantal wavepacket and/or quasi-classical molecular dynamics techniques). The present contribution reviews results "premiered" by us on: (i) the characteristics of a single H atom adsorption onto a graphite surface; (ii) the dynamics of the ER reaction involving a chemisorbed H atom; (iii) the dynamics of the LH reaction involving two physisorbed H atoms; (iv) the characteristics of a second H atom adsorption near an already chemisorbed one on the same carbon ring of the surface; and (v) the dynamics of the ER reaction between two H atoms in presence of a third one chemisorbed at the para site of the same carbon ring.

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