Atomistic simulations of the implantation of low energy boron and nitrogen ions into graphene

@article{AAhlgren2011AtomisticSO,
  title={Atomistic simulations of the implantation of low energy boron and nitrogen ions into graphene},
  author={E. H. AAhlgren and J. Kotakoski and A. Krasheninnikov},
  journal={Physical Review B},
  year={2011},
  volume={83},
  pages={115424-115431}
}
  • E. H. AAhlgren, J. Kotakoski, A. Krasheninnikov
  • Published 2011
  • Physics
  • Physical Review B
  • Department of Applied Physics, Aalto University,P.O. Box 1100, 00076 Helsinki, Finland(Dated: February 4, 2011)By combining classical molecular dynamics simulations and density functional theory total en-ergy calculations, we study the possibility of doping graphene with B/N atoms using low-energyion irradiation. Our simulations show that the optimum irradiation energy is 50 eV with substi-tution probabilities of 55% for N and 40% for B. We further estimate probabilities for differentdefect con… CONTINUE READING

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