A kinetic Monte Carlo study of desorption of H2 from graphite (0001)

Details A kinetic Monte Carlo study of desorption of H2 from graphite (0001) A kinetic Monte Carlo study of desorption of H2 from graphite (0001)

2009-07-20

arxiv.org/abs/0907.3361v1

Astronomy and Astrophysics

Astrophysics

Solar and Stellar Astrophysics

9 pages, 5 figures, Chem. Phys. Lett. in press

Scientific paper

10.1016/j.cplett.2009.07.003

The formation of H2 in the interstellar medium proceeds on the surfaces of silicate or carbonaceous particles. To get a deeper insight of its formation on the latter substrate, this letter focuses on H2 desorption from graphite (0001) in Temperature-Programmed-Desorption Monte-Carlo simulations. The results are compared to experimental results which show two main peaks and an intermediate shoulder for high initial coverage. The simulation program includes barriers obtained by ab-initio methods and is further optimised to match two independent experimental observations. The simulations reproduce the two experimental observed desorption peaks. Additionally, a possible origin of the intermediate peak is given.

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