Wire versus tube: Stability of small one-dimensional ZnO nanostructures

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

Research output: Contribution to journalArticle

77 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 1 2007

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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