Resolution:
## Figure 4.
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 |