Influence of Edge Functionalization on Electronic and Optical Properties of Armchair Phosphorene Nanoribbons: a First-Principles Study

@article{Bhattacharyya2019InfluenceOE,
  title={Influence of Edge Functionalization on Electronic and Optical Properties of Armchair Phosphorene Nanoribbons: a First-Principles Study},
  author={Pritam Bhattacharyya and Rupesh Chaudhari and N. Alaal and T. Rana and A. Shukla},
  journal={arXiv: Mesoscale and Nanoscale Physics},
  year={2019}
}
In this work, we present a systematic first-principles density-functional theory based study of geometry, electronic structure, and optical properties of armchair phosphorene nanoribbons (APNRs), with the aim of understanding the influence of edge passivation. Ribbons of width ranging from 0.33 nm to 3.8 nm were considered, with their edges functionalized with the groups H, OH, F, Cl, S, and Se. The geometries of various APNRs were optimized, and the stability was checked by calculating their… Expand
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References

SHOWING 1-10 OF 53 REFERENCES
Phosphorene nanoribbons
  • 84
  • PDF
Phosphorene nanoribbon as a promising candidate for thermoelectric applications
  • J. Zhang, H. J. Liu, +6 authors Q. J. Zhang
  • Materials Science, Physics
  • Scientific reports
  • 2014
  • 209
  • PDF
Phosphorene: an unexplored 2D semiconductor with a high hole mobility.
  • 3,533
  • PDF
...
1
2
3
4
5
...