  By combining classical molecular dynamics simulations and density functional
theory total energy calculations, we study the possibility of doping graphene
with B/N atoms using low-energy ion irradiation. Our simulations show that the
optimum irradiation energy is 50 eV with substitution probabilities of 55% for
N and 40% for B. We further estimate probabilities for different defect
configurations to appear under B/N ion irradiation. We analyze the processes
responsible for defect production and report an effective swift chemical
sputtering mechanism for N irradiation at low energies (~125 eV) which leads to
production of single vacancies. Our results show that ion irradiation is a
promising method for creating hybrid C-B/N structures for future applications
in the realm of nanoelectronics.
