Nanotubes based on monolayer blue phosphorus

Enrique Montes Muñoz; Udo Schwingenschlögl

doi:10.1103/PhysRevB.94.035412

Nanotubes based on monolayer blue phosphorus

Enrique Montes Muñoz, Udo Schwingenschlögl

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29 Scopus citations

Abstract

We demonstrate structural stability of monolayer zigzag and armchair blue phosphorus nanotubes by means of molecular dynamics simulations. The vibrational spectrum and electronic band structure are determined and analyzed as functions of the tube diameter and axial strain. The nanotubes are found to be semiconductors with a sensitive indirect band gap that allows flexible tuning.

Original language	English (US)
Journal	Physical Review B
Volume	94
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevB.94.035412
State	Published - Jul 8 2016

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10.1103/PhysRevB.94.035412

https://repository.kaust.edu.sa/bitstream/10754/617132/1/PhysRevB.94.035412.pdf

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title = "Nanotubes based on monolayer blue phosphorus",

abstract = "We demonstrate structural stability of monolayer zigzag and armchair blue phosphorus nanotubes by means of molecular dynamics simulations. The vibrational spectrum and electronic band structure are determined and analyzed as functions of the tube diameter and axial strain. The nanotubes are found to be semiconductors with a sensitive indirect band gap that allows flexible tuning.",

author = "{Montes Mu{\~n}oz}, Enrique and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).",

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N2 - We demonstrate structural stability of monolayer zigzag and armchair blue phosphorus nanotubes by means of molecular dynamics simulations. The vibrational spectrum and electronic band structure are determined and analyzed as functions of the tube diameter and axial strain. The nanotubes are found to be semiconductors with a sensitive indirect band gap that allows flexible tuning.

AB - We demonstrate structural stability of monolayer zigzag and armchair blue phosphorus nanotubes by means of molecular dynamics simulations. The vibrational spectrum and electronic band structure are determined and analyzed as functions of the tube diameter and axial strain. The nanotubes are found to be semiconductors with a sensitive indirect band gap that allows flexible tuning.

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Nanotubes based on monolayer blue phosphorus

Abstract

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