Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.commatsci.2008.01.054
Title: Molecular dynamics simulations of the stability of and defects in ZnO nanosheets
Authors: Man, Z.Y.
Zhang, Y.W. 
Srolovitz, D.J.
Keywords: Defects
Molecular dynamics
Nanostructures
ZnO
Issue Date: Nov-2008
Source: Man, Z.Y., Zhang, Y.W., Srolovitz, D.J. (2008-11). Molecular dynamics simulations of the stability of and defects in ZnO nanosheets. Computational Materials Science 44 (1) : 86-90. ScholarBank@NUS Repository. https://doi.org/10.1016/j.commatsci.2008.01.054
Abstract: The stability and defect formation during the relaxation of zinc oxide nanosheets were studied by molecular dynamics simulations. During the relaxation, an initial flat nanosheet bent to form a curved sheet with approximately a constant radius of curvature. It was found that there was a critical thickness, above which a defect-free nanosheet was formed while below which a defected nanosheet was formed. Two types of defects were found, which resulted from the passage of a perfect dislocation and a partial dislocation, respectively. Energetic analysis based on the continuum framework was also performed and compared favorably with the molecular dynamics simulation results. © 2008 Elsevier B.V. All rights reserved.
Source Title: Computational Materials Science
URI: http://scholarbank.nus.edu.sg/handle/10635/64949
ISSN: 09270256
DOI: 10.1016/j.commatsci.2008.01.054
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

2
checked on Dec 6, 2017

WEB OF SCIENCETM
Citations

2
checked on Nov 22, 2017

Page view(s)

38
checked on Dec 17, 2017

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.