Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

Koichi Ohno, Hiroko Satoh, Takeaki Iwamoto, Hiroaki Tokoyama, Hideo Yamakado

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

Abstract

A new carbon family adopting wavy structures has been found by quantum chemical calculations. The key motif of this family is a condensed four-membered ring. Periodically wavy-carbon sheets (wavy-Cn sheets, n = 2, 6, and 8) as well as wavy-C36 tube were found to be very similar to the previously reported prism-Cn carbon tubes (n = 5, 6, and 8) in several respects, including the relative energies per one carbon atom with respect to graphene, CC bond lengths, and CCC bond angles. Because of very high relative energies with respect to graphene (206-253 kJ mol-1), the wavy-carbons may behave as energy reserving materials.

Original languageEnglish
Pages (from-to)178-182
Number of pages5
JournalChemical Physics Letters
Volume639
DOIs
Publication statusPublished - 2015 Oct 16

ASJC Scopus subject areas

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

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