Ice nanotube: what does the unit cell look like?

Kenichiro Koga, Ruben D. Parra, Hideki Tanaka, X. C. Zeng

Research output: Contribution to journalArticle

72 Citations (Scopus)

Abstract

The unit cell structure and relative stability of ice nanotubes built from n-gonal rings of water were computationally studied. Four nanotubes were examined, referred to as square, pentagonal, hexagonal, and octagonal, depending on the number of stacked n-gons. The data obtained indicate that among these nanotubules, the pentagonal or hexagonal ice nanotube is the most stable.

Original languageEnglish
Pages (from-to)5037-5040
Number of pages4
JournalJournal of Chemical Physics
Volume113
Issue number12
DOIs
Publication statusPublished - Sep 22 2000

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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