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Issue 2, 2015
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Phosphorene oxide: stability and electronic properties of a novel two-dimensional material

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Abstract

Phosphorene, the monolayer form of (black) phosphorus, was recently exfoliated from its bulk counterpart. Phosphorene oxide, by analogy to graphene oxide, is expected to have novel chemical and electronic properties, and may provide an alternative route to the synthesis of phosphorene. In this research, the physical and chemical properties of phosphorene oxide including its formation by oxygen adsorption on the bare phosphorene was investigated. Analysis of the phonon dispersion curves finds stoichiometric and non-stoichiometric oxide configurations to be stable at ambient conditions, thus suggesting that the oxygen adsorption may not degrade the phosphorene. The nature of the band gap of the oxides depends on the degree of functionalization of phosphorene; an indirect gap is predicted for the non-stoichiometric configurations, whereas a direct gap is predicted for the stoichiometric oxide. Application of mechanical strain or an external electric field leads to tunability of the band gap of the phosphorene oxide. In contrast to the case of the bare phosphorene, dependence of the diode-like asymmetric current–voltage response on the degree of stoichiometry is predicted for the phosphorene oxide.

Graphical abstract: Phosphorene oxide: stability and electronic properties of a novel two-dimensional material

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Publication details

The article was received on 15 Sep 2014, accepted on 28 Oct 2014 and first published on 03 Nov 2014


Article type: Paper
DOI: 10.1039/C4NR05384B
Author version available: Download Author version (PDF)
Citation: Nanoscale, 2015,7, 524-531
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    Phosphorene oxide: stability and electronic properties of a novel two-dimensional material

    G. Wang, R. Pandey and S. P. Karna, Nanoscale, 2015, 7, 524
    DOI: 10.1039/C4NR05384B

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