  Though weak surface interactions and adsorption can play an important role in
plasma processing and materials science, they are not necessarily simple to
model. A boron adatom adsorbed on a graphene sheet serves as a case study for
how carefully one must select the correct technique from a toolbox of
computational chemistry methods. Using a variety of molecular dynamics
potentials and density functional theory functionals, we evaluate the
adsorption energy, investigate barriers to adsorption and migration, calculate
corresponding reaction rates, and show that a surprisingly high level of theory
may be necessary to verify that the system is described correctly.
