Formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism

Journal article

The associative desorption of hydrogen atoms on graphite via an Eley-Rideal mechanism is studied theoretically. Time-independent quantum reactive scattering calculations are performed on a potential energy surface calculated using the generalised gradient approximation of density functional theory. The absence of a barrier to reaction leads to a reaction probability which is close to one, even for low collision energies. The vibrational product distribution of H 2 shows a peak in the (v=2) vibrational state with appreciable population of higher states. The significance of these results for chemistry in the interstellar medium is discussed.

Authors: Farebrother, A; Meijer, A; Clary, D; Fisher, A

• Publication status: Published
• Journal: CHEMICAL PHYSICS LETTERS
• Volume: 319
• Issue: 3-4
• Pages: 303-308
• Publication date: 2000-03-17
• DOI: 10.1016/S0009-2614(00)00128-7
• ISSN: 0009-2614
• Language: English