Unrestricted study of the Eley–Rideal formation of H2 on graphene using a new multidimensional graphene–H–H potential: role of the substrate
Abstract
The Brenner potential is adapted to handle chemical interactions and reactions of H atoms at a
* Corresponding authors
a
Université Paris-Sud, Laboratoire des Collisions Atomiques et Moléculaires, UMR8625, Orsay, France
E-mail:
damien.bachellerie@u-psud.fr
b CNRS, Laboratoire des Collisions Atomiques et Moléculaires, UMR8625, Orsay, France
The Brenner potential is adapted to handle chemical interactions and reactions of H atoms at a
D. Bachellerie, M. Sizun, F. Aguillon, D. Teillet-Billy, N. Rougeau and V. Sidis, Phys. Chem. Chem. Phys., 2009, 11, 2715 DOI: 10.1039/B818614F
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