Jump to main content
Jump to site search

Issue 41, 2016
Previous Article Next Article

Nanotube-terminated zigzag edges of phosphorene formed by self-rolling reconstruction

Author affiliations

Abstract

The edge atomic configuration often plays an important role in dictating the properties of finite-sized two-dimensional (2D) materials. By performing ab initio calculations, we identify a highly stable zigzag edge of phosphorene, which is the most stable one among all the considered edges. Surprisingly, this highly stable edge exhibits a novel nanotube-like structure, which is topologically distinctively different from any previously reported edge reconstruction. We further show that this new edge type can form easily, with an energy barrier of only 0.234 eV. It may be the dominant edge type at room temperature under vacuum conditions or even under low hydrogen gas pressure. The calculated band structure reveals that the reconstructed edge possesses a bandgap of 1.23 eV. It is expected that this newly found edge structure may stimulate more studies in uncovering other novel edge types and further exploring their practical applications.

Graphical abstract: Nanotube-terminated zigzag edges of phosphorene formed by self-rolling reconstruction

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 05 Aug 2016, accepted on 16 Sep 2016 and first published on 16 Sep 2016


Article type: Paper
DOI: 10.1039/C6NR06201F
Citation: Nanoscale, 2016,8, 17940-17946
  •   Request permissions

    Nanotube-terminated zigzag edges of phosphorene formed by self-rolling reconstruction

    J. Gao, X. Liu, G. Zhang and Y. Zhang, Nanoscale, 2016, 8, 17940
    DOI: 10.1039/C6NR06201F

Search articles by author