Mechanical properties of phosphorene nanoribbons and oxides

Journal Article · Mon Dec 21 00:00:00 EST 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4937920· OSTI ID:22493059

Hao, Feng ^[1]; Chen, Xi ^[2]

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1. Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027 (United States)
2. International Center for Applied Mechanics, SV Laboratory, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049 (China)

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.

• OSTI ID: 22493059
• Journal Information: Journal of Applied Physics, Vol. 118, Issue 23; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CHEMISORPTION
DENSITY FUNCTIONAL METHOD
NANOSTRUCTURES
OXIDATION
OXIDES
OXYGEN
PHONONS
RELAXATION
STRAINS
STRESSES
YOUNG MODULUS