Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers

By Hongyan Guo, N. Lu, J. Dai, Xiaojun Wu, X. Zeng. 2014

538 citations recorded by the source corpus.

We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorus nanotubes, multilayer phosphorene sheets, and heterobilayers of phosphorene and two-dimensional (2D) transition-metal dichalcogenide (TMDC) monolayer. The tensile strain and electric-field effects on electronic properties of low-dimensional phosphorene nanostructures are also investigated. Our calculations show that the bare zigzag phosphorene nanoribbons (z-PNRs) are metals regardless of the ribbon width, whereas the bare armchair phosphorene nanoribbons (a-PNRs) are semiconductors with indirect bandgaps and the bandgaps decrease with increasing ribbon width. We find that compressive (or tensile) strains can reduce (or enlarge) the bandgap of the bare a-PNRs while an in-plane electric field can significantly reduce the bandgap of the bare a-PNRs, leading to the semiconductor-to-metal transition beyond certain electric field. For edge-passivated PNR by hydrogen, z-PNRs become semiconductor...

Subfields: Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/21cfbfe0f721b57ce5f742c38bfdc7792757165f

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In Materials Chemistry

1. Yong‐Wei Zhang
2. Gang Zhang
3. Yongqing Cai
4. Z. Ong
5. V. Sorkin
6. Han Wang
7. Fengnian Xia
8. X. Ling

Citations in the corpus

• Recent Advances in the Study of Phosphorene and its Nanostructures (2017, methodology): “the width of AC PNRs and approaches to the bulk value gradually (see Figure 38d) since the effect of the quantum confinement(251) diminishes with the increase of the nanoribbon width.(33,42) The band gap of AC PNRs decreases gradually as Eg » Ebulk g C 16 w2, where w is the width of AC nanoribbon.”