Molecular Dynamics Simulations of Zinc Oxide Nanostructures Under Strain: I-Nanoribbons

Kilic M. E., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.10, no.1, pp.104-111, 2013 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 10 Issue: 1
  • Publication Date: 2013
  • Doi Number: 10.1166/jctn.2013.2664
  • Journal Name: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.104-111
  • Keywords: Zinc Oxide Nanostructures, Nanoribbons, Molecular Dynamics Simulations, Emprical Atomistic Potential, Two-Dimensional Nanostructures, ZNO THIN-FILMS, ROOM-TEMPERATURE, NANOWIRES, NANORODS, HYDROGEN, GROWTH, ARRAYS
  • Middle East Technical University Affiliated: Yes

Abstract

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.