• Materials Science, Medicine
  • Published in
    ACS applied materials…
    2015
  • DOI:10.1021/am508843z

Layer-dependent dopant stability and magnetic exchange coupling of iron-doped MoS2 nanosheets.

@article{Shu2015LayerdependentDS,
  title={Layer-dependent dopant stability and magnetic exchange coupling of iron-doped MoS2 nanosheets.},
  author={Haibo Shu and Pengfei Luo and Pei Liang and Dan Cao and Xiaoshuang Chen},
  journal={ACS applied materials & interfaces},
  year={2015},
  volume={7 14},
  pages={
          7534-41
        }
}
Using density-functional theory calculations including a Hubbard U term we explore structural stability, electronic and magnetic properties of Fe-doped MoS2 nanosheets. Unlike previous reports, the geometry and the stability of Fe dopant atoms in MoS2 nanosheets strongly depend on the chemical potential and the layer number of sheets. The substitution Fe dopant atoms at the Mo sites are energetically favorable in monolayer MoS2 and the formation of intercalated and substitutional Fe complexes… CONTINUE READING

Citations

Publications citing this paper.

References

Publications referenced by this paper.
SHOWING 1-10 OF 58 REFERENCES

MoS2: Degenerate Hole Doping by Cation Substitution

A. M. Van der Zande, P. Y. Huang, +7 authors J. C. Hone
  • Nano Lett. 2014,
  • 2014