Mechanical properties of phosphorene nanoribbons and oxides

Feng HAO, Xi CHEN*

*Corresponding author for this work

Research output: Journal PublicationsJournal Article (refereed)peer-review

29 Citations (Scopus)

Abstract

Mechanical properties of phosphorene nanoribbons and oxides are investigated by using density functional theory. It is found that the ideal strength of nanoribbon decreases in comparison with that of 2D phosphorene. The Young's modulus of armchair nanoribbon has a remarkable size effect because of the edge relaxations. The analysis of the stress-strain relation indicates that, owing to chemisorbed oxygen atoms, the ideal strength and Young's modulus of 2D phosphorene oxide are greatly reduced along the zigzag direction, especially upon high oxidation ratios. In addition, strain and oxidation have significant impacts on phonon dispersion. © 2015 AIP Publishing LLC.
Original languageEnglish
Article number234304
JournalJournal of Applied Physics
Volume118
Issue number23
Early online date16 Dec 2015
DOIs
Publication statusPublished - 21 Dec 2015
Externally publishedYes

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