Structural properties of defected ZnO nanoribbons under uniaxial strain: Molecular dynamics simulations

Date

2014-01-01

Author

Kilic, Mehmet Emin
Erkoç, Şakir

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Structural properties of various type and position defected zinc oxide nanoribbons with armchair and zigzag edges have been investigated via classical molecular dynamics simulations. An atomistic potential energy function has been used to represent the interactions among the atoms. A uniaxial strain has been applied to the generated ZnO nanostructures at two different temperatures of 1 K and 300 K. It has been found that ZnO nanoribbons under strain application exhibit a structural change depending on the temperature; the position and type of the defect; and the edge geometries of the nanoribbons. (C) 2013 Elsevier B. V. All rights reserved.

Subject Keywords

General Physics and Astronomy, General Materials Science

URI

https://hdl.handle.net/11511/56331

Journal

CURRENT APPLIED PHYSICS

DOI

https://doi.org/10.1016/j.cap.2013.10.009

Collections

Department of Physics, Article

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Molecular Dynamics Simulations of Zinc Oxide Nanostructures Under Strain: I-Nanoribbons Kilic, Mehmet Emin; Erkoç, Şakir (American Scientific Publishers, 2013-01-01) Structural properties of zinc oxide nanoribbons have been investigated by performing classical molecular dynamics simulations. Atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, namely 1 K and 300 K. It has been found that strained ZnO nanostructures undergo a structural change depending on temperature and geometry.
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Citation Formats

M. E. Kilic and Ş. Erkoç, “Structural properties of defected ZnO nanoribbons under uniaxial strain: Molecular dynamics simulations,” CURRENT APPLIED PHYSICS, pp. 57–67, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56331.