Mechanical properties of phosphorene nanoribbons and oxides

Feng HAO; Xi CHEN

doi:10.1063/1.4937920

Mechanical properties of phosphorene nanoribbons and oxides

Feng HAO, Xi CHEN^*

^*Corresponding author for this work

Research output: Journal Publications › Journal Article (refereed) › peer-review

30 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 language	English
Article number	234304
Journal	Journal of Applied Physics
Volume	118
Issue number	23
Early online date	16 Dec 2015
DOIs	https://doi.org/10.1063/1.4937920
Publication status	Published - 21 Dec 2015
Externally published	Yes

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title = "Mechanical properties of phosphorene nanoribbons and oxides",

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. {\textcopyright} 2015 AIP Publishing LLC.",

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T1 - Mechanical properties of phosphorene nanoribbons and oxides

AU - HAO, Feng

AU - CHEN, Xi

PY - 2015/12/21

Y1 - 2015/12/21

N2 - 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.

AB - 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.

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U2 - 10.1063/1.4937920

DO - 10.1063/1.4937920

M3 - Journal Article (refereed)

SN - 0021-8979

VL - 118

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 23

M1 - 234304

ER -

Mechanical properties of phosphorene nanoribbons and oxides

Abstract

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