Positions of reflection, transmission, and adsorption events for the quantum-classical calculations. In a representative graphene hexagon, using SCC-DFTB. Adsorption (left) shows clustering of hydrogen atoms around the lattice carbons. Reflection (center) is most probable at the perimeter of the hexagon where interactions are strongest. Transmission (right) can occur at most points in the lattice for high energies but tends to occur at the hexagon center due to the low barrier.
Ehemann et al. Nanoscale Research Letters 2012 7:198 doi:10.1186/1556-276X-7-198