Figure 3.

Ab initio molecular dynamics of protein landing on single-layer graphene. Folded cyt c is landed on graphene with an energy of 35 eV (i.e. 5 eV/charge—typical for soft-landing), shown in (a), and 350 eV (i.e. 50 eV/charge—typical for reactive-landing), shown in (b). The collision compresses the incident protein, initiating the protein unfolding in the latter case. The graphene has traveled downward by 3.1 nm at the 9.4 ps mark in (a) and by 4.7 nm at the 3.8 ps mark in (b); these distances are the greatest distance traveled by graphene in their respective trajectories.