While experiment and theory do not match quantitatively, we observe agreement that the relative amount of kinetic energy lost during the collision increases with increasing initial kinetic energy of the NO. We directed thousands of trajectories of NO molecules onto graphene along the surface normal, while varying impact position, but also speed, orientation, and rotational excitation of the nitric oxide, and compare the results with experimental data. Since many of these collision systems comprising of graphene and small molecules have been shown to scatter non-reactively, classical molecular dynamics appear to describe such systems sufficiently. This is motivated by our desire to probe the energy transfer in collisions with graphene. We performed classical molecular dynamics simulations to model the scattering process of nitric oxide, NO, off graphene supported on gold.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |