Structural Properties of ZnO Nanotubes Under Uniaxial Strain: Molecular Dynamics Simulations


Kilic M. E. , ERKOÇ Ş.

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, cilt.13, ss.6597-6610, 2013 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 13 Konu: 10
  • Basım Tarihi: 2013
  • Doi Numarası: 10.1166/jnn.2013.7207
  • Dergi Adı: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
  • Sayfa Sayıları: ss.6597-6610

Özet

Structural properties of zinc oxide nanotubes with zigzag, armchair and chiral geometries have been investigated by performing classical molecular dynamics simulations. An 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, 1 K and 300 K. It has been found that ZnO nanostructures following strain application undergo a structural change depending on temperature, geometry and tube radius.