articleThe Journal of Physical Chemistry CJun 6, 2014GREEN OA

Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers

University of Science and Technology of China · University of Nebraska–Lincoln · +3 more institutions

Indexed inarxivcrossref

Abstract

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…

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