Wire versus tube

Stability of small one-dimensional ZnO nanostructures

Xiao Shen, Philip B. Allen, James Muckerman, James W. Davenport, Jin Cheng Zheng

Research output: Contribution to journalArticle

75 Citations (Scopus)

Abstract

This paper presents first-principles calculations for ultrasmall ZnO one-dimensional nanostructures. The calculations were done on ZnO nanowires and single-walled nanotubes with n atoms per periodic unit, where one periodic unit is made up of two ZnO layers. The calculations show that, for small n, a single-walled nanotube has lower energy than a nanowire. A crossover point near n = 38 is predicted. Vibrations and vibrational entropy of competing structures is discussed.

Original languageEnglish
Pages (from-to)2267-2271
Number of pages5
JournalNano Letters
Volume7
Issue number8
DOIs
Publication statusPublished - Aug 2007

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Nanostructures
wire
Wire
tubes
Nanotubes
Nanowires
nanotubes
nanowires
crossovers
Entropy
entropy
Atoms
vibration
atoms
energy

ASJC Scopus subject areas

  • Materials Science(all)
  • Electronic, Optical and Magnetic Materials
  • Chemistry (miscellaneous)

Cite this

Wire versus tube : Stability of small one-dimensional ZnO nanostructures. / Shen, Xiao; Allen, Philip B.; Muckerman, James; Davenport, James W.; Zheng, Jin Cheng.

In: Nano Letters, Vol. 7, No. 8, 08.2007, p. 2267-2271.

Research output: Contribution to journalArticle

Shen, X, Allen, PB, Muckerman, J, Davenport, JW & Zheng, JC 2007, 'Wire versus tube: Stability of small one-dimensional ZnO nanostructures', Nano Letters, vol. 7, no. 8, pp. 2267-2271. https://doi.org/10.1021/nl070788k
Shen, Xiao ; Allen, Philip B. ; Muckerman, James ; Davenport, James W. ; Zheng, Jin Cheng. / Wire versus tube : Stability of small one-dimensional ZnO nanostructures. In: Nano Letters. 2007 ; Vol. 7, No. 8. pp. 2267-2271.
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