▎ 摘 要
The Brenner potential is adapted to handle chemical interactions and reactions of H atoms at a graphene surface. The adapted potential reproduces several important features of DFT computed data and reveals an extended puckering of the surface upon its adsorption of an H atom. This potential is used to investigate in a much more realistic way than has been done before, the Eley-Rideal abstraction reaction producing H-2 in H + H-graphene collisions at energies E-col = 5-4 and < i > = 2-4.