A page 1 Solide Astrochemistry Edited by, Manico Nato Science Series ,
Interstellar Processes p397-469 Hollenbach D ,
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Eley???Rideal reactions between H atoms on metal and graphite surfaces: The variation of reactivity with substrate, The Journal of Chemical Physics, vol.114, issue.1, p.474, 2001. ,
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Abstraction of D chemisorbed on graphite (0001) with gaseous H atoms, Chemical Physics Letters, vol.366, issue.1-2, p.188, 2002. ,
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Surface Coverage Effects on the Formation of Molecular Hydrogen on a Graphite Surface via an Eley???Rideal Mechanism, The Journal of Physical Chemistry A, vol.107, issue.50, p.10862, 2003. ,
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The time???dependent Schr??dinger equation: Application of absorbing boundary conditions, The Journal of Chemical Physics, vol.90, issue.8, p.4351, 1989. ,
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First-principles study of the structural and energetic properties of H atoms on a graphite () surface, Surface Science, vol.496, issue.3, p.318, 2002. ,
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Quantum studies of Eley???Rideal reactions between H atoms on a graphite surface, The Journal of Chemical Physics, vol.116, issue.16, p.7158, 2002. ,
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nous allons exposer les résultats que nous avons obtenus lors de l'étude de la formation de la molécule H 2 sur un grain de poussière interstellaire en considérant le mécanisme Langmuir-Hinshelwood (LH) ,
nous avons postulé que les atomes d'hydrogène ne peuvent être que chimisorbés sur le grain, ce qui ne conduit qu'au mécanisme Eley-Rideal. Que se passe-t-il, si on envisage de physisorber des atomes d'hydrogène sur le grain ? Lorsqu'un atome H est physisorbé, il peut migrer quasi librement sur la surface. Dans ce cas trois mécanismes peuvent être envisagés : 1. le premier type de mécanisme Langmuir-Hinschelwood ,
où la réaction a lieu entre un atome d'hydrogène physisorbé sur la surface et un atome d'hydrogène provenant de la phase gaz, ER2) ,
nous nous intéressons au premier type de mécanisme LH Ce choix est motivé par les raisons suivantes : 1. ce mécanisme LH est sans doute plus efficace que le mécanisme ER2, puisque dans le mécanisme LH les atomes d'hydrogène évoluent dans un monde à deux dimensions ,
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DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface, Chemical Physics Letters, vol.300, issue.1-2, p.157, 1999. ,
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Molecular hydrogen in spaceCombes and G.Pineau des Forêts, Cambridge Contemporary Astrophysics series, pp.89-97, 2000. ,
First-principles study of the structural and energetic properties of H atoms on a graphite () surface, Surface Science, vol.496, issue.3, pp.318-7158, 2002. ,
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Hinshelwood lorsque les deux atomes d'hydrogène sont physisorbés sur la surface. Or il existe un autre type de mécanisme Langmuir- Hinshelwood où un atome est chimisorbé et un autre est physisorbé sur la surface ,
Rideal lorsque qu'un atome est chimisorbé sur la surface. Toutefois, il est probablement difficile de chimisorber un atome d'hydrogène puisqu'il existe une barrière à la chimisorption considérable par rapport aux conditions énergétiques régnant dans le milieu interstellaire. Notre question est : comment l'atome d'hydrogène se chimisorbe-t-il sur la surface ? ,